制备方法

由胡椒乙胺开环而得。将胡椒乙胺和苯酚加入反应锅，冷却，慢慢加入盐酸，升温至110℃回流12-44h。反应到达终点后，稍冷，加水搅拌均匀。静置分层，分去酚层。水层用乙酸异丙酯提取，提取后的水层减压（8.0kPa）蒸发至干，再加入1/2量乙醇和盐酸，加热溶解。冷却，结晶，过滤，滤饼用乙醇洗涤，干燥，得成品。收率74%。

合成制备方法

由胡椒乙胺开环而得。将胡椒乙胺和苯酚加入反应锅，冷却，慢慢加入盐酸，升温至110℃回流12-44h。反应到达终点后，稍冷，加水搅拌均匀。静置分层，分去酚层。水层用乙酸异丙酯提取，提取后的水层减压（8.0kPa）蒸发至干，再加入1/2量乙醇和盐酸，加热溶解。冷却，结晶，过滤，滤饼用乙醇洗涤，干燥，得成品。收率74%。

用途简介

该品为升压产品，也是一种生化试剂。

用途

该品为升压药，也是一种生化试剂。多巴胺受体激动药，可兴奋心脏，增加肾血流量，用于失血性、心乏性及感染性休克。

海关代码：

29222900

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

S26-S36

RTECS号：

UX1092000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

危险标志：

Xi:Irritant

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UX1092000

CHEMICAL NAME :

Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride

CAS REGISTRY NUMBER :

62-31-7

LAST UPDATED :

199701

DATA ITEMS CITED :

22

MOLECULAR FORMULA :

C8-H11-N-O2.Cl-H

MOLECULAR WEIGHT :

189.66

WISWESSER LINE NOTATION :

Z2R CQ DQ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2859 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

597 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

647 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4800 ug/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4361 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

914 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1366 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

156 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

79 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

90 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

420 mg/kg/6W-I

TOXIC EFFECTS :

Cardiac - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

42 mg/kg/6W-I

TOXIC EFFECTS :

Cardiac - pulse rate increase, without fall in BP Cardiac - pulse rate

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

7 mg/kg

SEX/DURATION :

female 1-7 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

2100 ug/kg

SEX/DURATION :

female 7-12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

DOSE :

300 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

DOSE :

900 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

DOSE :

361 mg/kg

SEX/DURATION :

female 15 week(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)

MUTATION DATA

TYPE OF TEST :

Mutation in mammalian somatic cells

TEST SYSTEM :

Rodent - mouse Lymphocyte

DOSE/DURATION :

93800 ug/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 124,9,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3889 No. of Facilities: 135 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 5239 (estimated) No. of Female Employees: 3875 (estimated)

毒理学数据：

急性毒性：

口腔   LD50   4361mg/kg(mus)

              2859mg/kg(rat)

主要的刺激性影响：

在皮肤上面:刺激皮肤和粘膜。

在眼睛上面:刺激的影响

致敏作用：没有已知的敏化作用。

生态数据：

总括注解 

水危害级别1（德国规例）（通过名单进行自我评估）该物质对水有稍微危害的。

 不要让未稀释或大量的产品接触地下水、水道或污水系统。

若无政府许可，勿将材料排入周围环境。

分子结构数据

 

1、   摩尔折射率：43.10

2、   摩尔体积（cm³/mol）：122.7

3、   等张比容（90.2K）：342.9

4、   表面张力（dyne/cm）：60.8

5、   极化率（10^-24cm³）：17.08

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:4

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:18

6.拓扑分子极性表面积66.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:119

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:2

• 
  盐酸多巴胺红外图谱(IR1)
• 
  盐酸多巴胺红外图谱(IR2)
• 
  盐酸多巴胺质谱(MS)
• 
  盐酸多巴胺核磁图(¹³CNMR)
• 
  盐酸多巴胺核磁图(¹HNMR)