3-Phenylpropyl Carbamate 苯丙氨酯

CAS 673-31-4 MFCD00868163

化学结构图

673-31-4
SMILES:

化学属性

Mol. FormulaC10 H13 N O2
Mol. Weight179.22
Appearance 白色有光泽的结晶性粉末。熔点101-104℃，溶于乙醇、氯仿、丙二醇及乙二胺，微溶于乙醚，几乎不溶于水。无臭，味微苦，稍有麻木感。
Melting Point103-105°C

别名和识别编码

Chemical Name3-Phenylpropyl Carbamate
Synonym 1-Carbamoyloxy-3-phenylpropane 1-Propanol, 3-phenyl-, carbamate 1-carbamoyloxy-3-phenylpropane 3-Phenyl-1-propanol carbamate 3-Phenylpropyl carbamate Fenprobamato Gamaquil MX 532 PHENPROBAMATE Palmita Phenoprobamate Phenprobamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number211-606-1
CAS Number673-31-4
MDL NumberMFCD00868163
Chemical Name Translation苯丙氨酯
Wiswesser Line NotationZVO3R
Beilstein Registry Number1959273
LabNetwork Molecule IDLN04688876
Canonical SMILESNC(=O)OCCCc1ccccc1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carbamate; 1fragment

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSUB9275000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MEIEDD Merck Index. (Merck & Co., Inc., Rahway, NJ 07065)  10th ed. 1983.
   For publisher information, see 85KYAH.  Volume(issue)/page/year:
   10,1047,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 840 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1110 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 13,856,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 285 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
   D.H. Efron, Washington, DC, 1972  Volume(issue)/page/year: -,402,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraper

Storage condition +4°C 4°C 常温

其他信息

  • 用途一:用于治疗肌肉松弛症
  • 用途二:该品为枢骨胳肌松弛剂。用于肩、颈硬直，腰痛、四肢痛，运动后肌肉痛、扭挫伤、风湿性关节炎、神经痛及其他伴有痉挛等肌肉常紧张各症。
  • 下游产品:L-亮氨酸 --> L-苯丙氨酸 --> 血管紧张素II
  • MOL 文件:673-31-4.mol
  • 上游原料:氰酸钠 --> 无水甲苯 --> 3-苯丙醇
  • 方法一:由3-苯丙醇与氰酸钠缩合、水解而得。将无水甲苯、3-苯丙醇及氰酸钠加入反应罐中，冷至10℃，搅拌下导入氯化氢气体，约80min，温度上升至55℃后开始下降。通气毕，在55-60℃反应0.5h。冷至30℃，加入氨水升温至70℃，静置0.5h，分取有机层，过滤，滤液冷却结晶。过滤，结晶用甲苯洗涤，再用蒸馏水洗至氯根符合要求止。气流干燥，得苯丙氨酯。

系列性分类

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