氯烯雌醚
- 中文名称:
- 氯烯雌醚
- 中文别名:
- 氯烯雌醚;
泰舒
- 英文名称:
- Benzene,1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-
- 英文别名:
- chlorotrianisene;
1-chloro-1,2,2-tris(p-methoxyphenyl)ethene;
TACE;
1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-benzene];
Chlortrianisestrol;
Merbentul;
Chlorestrolo;
Chlorotrianisene;
Tris-(4-methoxy-phenyl)-vinylchlorid;
chloro-tris-(4-methoxy-phenyl)-ethene;
Chlorotrianizen;
Chlor-tris-(4-methoxy-phenyl)-aethen;
Chlortrianisen;
Chloortrianisestrol;
1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene;
Chlorotrianisine;
Chlortrianizen;
2-Chlor-1,1,2-tris-(4-methoxy-phenyl)-aethylen
- CAS No.:
- 569-57-3
- 分 子 式:
-
C23H21ClO3
- 分 子 量:
- 380.86
- 精确分子量:
- 380.11800
- PSA:
- 27.69000
- EINECS:
- 209-318-6
- InChI:
- InChI=1/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H33
- 分子结构式:
-
- SDS:
- 查看
氯烯雌醚 制备方法及用途
制备方法
有多种合成路线,由对甲氧基苯乙酮经溴化、成盐、缩合、氯化而得。总收率14.5%;也可由茴香酸出发制备,总收率44.4%,但茴香酸原料价格较贵。以茴香醚为原料,经下列步骤制取泰舒,总收率为21.6%。1.氯代对甲氧基苯乙酮的制备 茴香醚与氯乙酰氯反应得氯代对甲氧基苯乙酮。2.1,1,2-三(对甲氧苯基)乙烯的制备 溴代茴香醚与镁制得格氏试剂,与氯代对甲氧基苯乙酮反应得油状物继续与PTS反应得1,1,2-三(对甲氧苯基)乙烯。3.泰舒的制备 1,1,2-三(对甲氧苯基)乙烯氯化得泰舒。
用途简介
雌激素类药,主要用于治疗前列腺肿大和妇女更年期综合症。
氯烯雌醚 物化性质
- 密度:
- 1.168g/cm3
- 熔点:
- 114-116ºC
- 沸点:
- 514.2ºC at 760mmHg
- 闪点:
- 164.1ºC
- 折射率:
- 1.591
氯烯雌醚 安全信息
- WGK_Germany:
- 3
德国有关水污染物质的分类清单
- RTECS号:
- KV0600000
氯烯雌醚 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KV0600000
- CHEMICAL NAME :
- Ethylene, chlorotris(p-methoxyphenyl)-
- CAS REGISTRY NUMBER :
- 569-57-3
- BEILSTEIN REFERENCE NO. :
- 1891845
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C23-H21-Cl-O3
- MOLECULAR WEIGHT :
- 380.89
- WISWESSER LINE NOTATION :
- 1OR DYGUYR DO1&R DO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 37 mg/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Skin and Appendages - tumors
Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
11,489,1967
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg/89W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Endocrine - tumors
Reproductive - Tumorigenic effects - testicular tumors
- REFERENCE :
- AMPLAO AMA Archives of Pathology. (Chicago, IL) V.50(4)-69, 1950-60. For
publisher information, see APLMAS. Volume(issue)/page/year: 50,750,1950
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 48 mg/kg
- SEX/DURATION :
- female 14 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- REFERENCE :
- OBGNAS Obstetrics and Gynecology. (Elsevier Science Pub. Co., Inc., 52
Vanderbilt Ave., New York, NY 10017) V.1- 1953- Volume(issue)/page/year:
8,399,1956
*** REVIEWS ***
IARC Cancer Review:Animal Inadequate Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 21,139,1979
TOXICOLOGY REVIEW
ACRSAJ Advances in Cancer Research. (Academic Press, Inc., 465 S. Lincoln
Dr., Troy, MO 63379) V.1- 1953- Volume(issue)/page/year: 1,173,1953
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - 84523
No. of Facilities: 14 (estimated)
No. of Industries: 1
No. of Occupations: 3
No. of Employees: 1134 (estimated)
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - 84523
No. of Facilities: 18 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 229 (estimated)
No. of Female Employees: 114 (estimated)
氯烯雌醚 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):6.4
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:27.7
7.重原子数量:27
8.表面电荷:0
9.复杂度:442
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
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