奥氮平,132539-06-1，生产厂家，价格-洛克化工网移动版

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基本信息

制备方法及用途

物化性质

安全信息

MSDS

海关数据

结构与计算化学

上游产品

奥氮平

中文名称：: 奥氮平

中文别名：: 奥氮平;
奥兰扎平;
2-甲基-4-(4-甲基-1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂;
2-甲基-4-(4-甲基-1-哌嗪基)-10H-thieno[2,3-b][1,5]苯二氮

英文名称：: Olanzapine

英文别名：: olanzapine;
Oliza;
ZYPREXA;
lanzac;
2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine LY-170053;
Oleanz;
Olanzapine;
2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine;
2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine;
2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine;
OLANZAPINE FORM I;
Integrol;
Oltal;
Larmac

CAS No.：: 132539-06-1

分子式：: C₁₇H₂₀N₄S

分子量：: 312.43

精确分子量：: 312.14100

PSA：: 59.11000

InChI：: InChI=1/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H33

危险品标志：

风险术语：

安全术语：

分子结构式：

SDS：: 查看

奥氮平制备方法及用途

制备方法

1. 4-氨基-2-甲基-10H-噻吩并苯并二氮杂革盐酸盐和N-甲基哌嗪,在二甲亚砜和甲苯中,氮气保护下回流20h,得到奥氮平。 2. 2-氨基-3-氰基-5-甲基噻吩的制备在反应瓶中加入硫21.8g(0.68mol)、丙醛47.3g(0.81mol)和DMA135ml,搅拌溶解,5~10oC滴加三乙胺57.6g(0.61mol),约30min加完,于18~20oC搅拌1h.滴加丙二腈45g(0.68mol)的DMF90ml溶液,约1h加完,继续于15~20oC搅拌反应1h.将反应液倾入冰水中,产生黄色沉淀,稍放置,过滤,水洗,干燥,得黄色固体2-氨基-3-氰基-5-甲基噻吩70g,收率74.6%,mp99~100oC. 3. 2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩的制备在反应瓶中加入邻氯硝基苯28.2g(0.2mol)、2-氨基-3-氰基-5-甲基噻吩27.6g(0.2mol)、LiOH12.4g(0.3mol)和DMF150ml,于70 oC搅拌反应6h.冷却,倒入碎冰中,用二氯甲烷(500×3)提取,用2mol/L盐酸100ml洗,水(200ml×2)洗,无水MgSO4干燥,减压蒸除回收溶剂,剩余物用乙醇重结晶,得黄色结晶2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩35g, 收率70%,mp99~101oC. 4. 2-甲基-4-氨基-10H-噻吩并苯二氮杂盐酸盐的制备在反应瓶中加入乙醇600ml和2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩60g(0.23mol),于50 oC搅拌10min.于10min内加入二水氯化亚锡170g(0.75mol)的6mol/L盐酸500ml的溶液,搅拌回流1h.减压蒸除乙醇,自然冷却,析晶,过滤,用少量水洗滤饼,再用少量丙酮洗至呈黄色,抽干,干燥,得黄色固体2-甲基-4-氨基-10H-噻吩并苯二氮杂盐酸盐50g,收率82%,mp>250oC. 5. 奥氮平的合成在反应瓶中加入2-甲基-4-氨基-10H-噻吩并苯二氮杂盐酸盐50g(0.19mol)、无水哌嗪200g(2.3mol)、DMSO250ml和甲苯250ml,搅拌溶解,搅拌回流20h.冷至50 oC,倾入冰水1000ml中,放置析晶,过滤,水洗,抽干,干燥,得黄色固体.将固体加到反应瓶中,再加入DMSO500ml、37%甲醛14.6g(0.18mol)和98%甲酸8.5g(0.18mol),于80 oC搅拌2h.倾入冰水中析晶,过滤,水洗,干燥得粗品奥氮平50g,用乙醇500ml重结晶,得奥氮平纯品40g,收率68%,mp193~195 oC.

合成制备方法

1. 4-氨基-2-甲基-10H-噻吩并[2,3-b][1,5]苯并二氮杂革盐酸盐和N-甲基哌嗪，在二甲亚砜和甲苯中，氮气保护下回流20h，得到奥氮平。

2. 2-氨基-3-氰基-5-甲基噻吩的制备

在反应瓶中加入硫21.8g(0.68mol)、丙醛47.3g(0.81mol)和DMA135ml,搅拌溶解,5~10ºC滴加三乙胺57.6g(0.61mol),约30min加完,于18~20ºC搅拌1h.滴加丙二腈45g(0.68mol)的DMF90ml溶液,约1h加完,继续于15~20ºC搅拌反应1h.将反应液倾入冰水中,产生黄色沉淀,稍放置,过滤,水洗,干燥,得黄色固体2-氨基-3-氰基-5-甲基噻吩70g,收率74.6%,mp99~100ºC.

3. 2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩的制备

在反应瓶中加入邻氯硝基苯28.2g(0.2mol)、2-氨基-3-氰基-5-甲基噻吩27.6g(0.2mol)、LiOH12.4g(0.3mol)和DMF150ml,于70 ºC搅拌反应6h.冷却,倒入碎冰中,用二氯甲烷(500×3)提取,用2mol/L盐酸100ml洗,水(200ml×2)洗,无水MgSO4干燥,减压蒸除回收溶剂,剩余物用乙醇重结晶,得黄色结晶2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩35g, 收率70%,mp99~101ºC.

4. 2-甲基-4-氨基-10H-噻吩并[2,3-b][1,5]苯二氮杂盐酸盐的制备

在反应瓶中加入乙醇600ml和2-(邻硝基苯氨基)-3-氰基-5-甲基噻吩60g(0.23mol),于50 ºC搅拌10min.于10min内加入二水氯化亚锡170g(0.75mol)的6mol/L盐酸500ml的溶液,搅拌回流1h.减压蒸除乙醇,自然冷却,析晶,过滤,用少量水洗滤饼,再用少量丙酮洗至呈黄色,抽干,干燥,得黄色固体2-甲基-4-氨基-10H-噻吩并[2,3-b][1,5]苯二氮杂盐酸盐50g,收率82%,mp>250ºC.

5. 奥氮平的合成

在反应瓶中加入2-甲基-4-氨基-10H-噻吩并[2,3-b][1,5]苯二氮杂盐酸盐50g(0.19mol)、无水哌嗪200g(2.3mol)、DMSO250ml和甲苯250ml,搅拌溶解,搅拌回流20h.冷至50 ºC,倾入冰水1000ml中,放置析晶,过滤,水洗,抽干,干燥,得黄色固体.将固体加到反应瓶中,再加入DMSO500ml、37%甲醛14.6g(0.18mol)和98%甲酸8.5g(0.18mol),于80 ºC搅拌2h.倾入冰水中析晶,过滤,水洗,干燥得粗品奥氮平50g,用乙醇500ml重结晶,得奥氮平纯品40g,收率68%,mp193~195 ºC.

用途简介

用于控制精神分裂症、双极性躁狂症和痴呆症患者的激越症状。

用途

1.为5HT₂-D₂砬拮抗剂。用于治疗精神分裂症。
2.双重的5-HT₂(5-羟色胺)和多巴胺D₂拮抗剂,临床试验表明它比氟哌啶醇等抗精神病药物有更好的疗效,锥体外系副作用小.用于急慢性精神分裂症以及以兴奋躁动为主要症状的各类精神病的治疗.

奥氮平物化性质

外观与性状：
淡黄色结晶粉末

密度：
1.32 g/cm3

熔点：
195°C

沸点：
462.6ºC at 760 mmHg

闪点：
233.6ºC

折射率：
3.3

蒸汽压：
0mmHg at 25°C

其它信息：

1.性状：从乙腈结晶。
2.熔点：195℃。

奥氮平安全信息

海关代码：
2934999090

WGK_Germany：
3
德国有关水污染物质的分类清单

安全说明：
S22-S24/25

奥氮平 MSDS

  Olanzapine      Revision number: 5
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Olanzapine

  Revision number:        5

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 3
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statements        Toxic if swallowed
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Do not eat, drink or smoke when using this product.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
    mouth.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
  [Storage]        Store locked up.
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
    Olanzapine
  Components:
  Olanzapine

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Percent:        >98.0%(GC)(T)
  CAS Number:        132539-06-1
  Synonyms:        2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
  Chemical Formula:        C17H20N4S

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a refrigerator.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.
  Personal protective equipment
  Olanzapine

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.
  Eye protection:        Safety goggles. A face-shield, if the situation requires.
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder
  Colour:        Pale yellow - Deep yellow
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:194°C (dec.)
  Boiling point/range:        No data available
  Flash point:        No data available
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        No data available
  Solubility(ies):
  [Water]        Insoluble
  [Other solvents]
  Soluble:        Hot acetone
  Log Pow:        4.09

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-man LDLo:7067 ug/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
  NTP =        No data available
  Reproductive toxicity:        No data available
  RTECS Number:        XJ9007750

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
    No data available
  Crustacea:
  Algae:        No data available
  Persistence / degradability: No data available
  Bioaccumulative        No data available
  potential(BCF):
  Mobility in soil
  Olanzapine

Section 12. ECOLOGICAL INFORMATION
  Log Pow:        4.09
  Soil adsorption (Koc): No data available
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        6.1: Toxic substance.
  UN-No:        2811
  Proper shipping name:        Toxic solid, organic, n.o.s.
  Packing group:        III

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

奥氮平海关数据

中国海关编码：2934999090

概述：

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

奥氮平分子结构与计算化学数据

分子结构数据

1、摩尔折射率：92.15
2、摩尔体积（cm³/mol）：235.9
3、等张比容（90.2K）：633.7
4、表面张力（dyne/cm）：52.0
5、极化率（10-24cm3）：36.53

计算化学数据

1.疏水参数计算参考值（XlogP）:2.8
2.氢键供体数量:1
3.氢键受体数量:5
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积56.2
7.重原子数量:22
8.表面电荷:0
9.复杂度:543
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1

奥氮平上游产品

2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓碘甲烷硫酸二甲酯 2-(2-硝基苯氨基)-5-甲基噻吩-3-甲酸甲酯

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奥氮平

奥氮平 制备方法及用途

制备方法

合成制备方法

用途简介

用途

奥氮平 物化性质

奥氮平 安全信息

奥氮平 MSDS

奥氮平 海关数据

中国海关编码：2934999090

奥氮平 分子结构与计算化学数据

分子结构数据

计算化学数据

奥氮平 上游产品

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