2-Phenylacetamide 2-苯乙酰胺

CAS 103-81-1 MFCD00059193

化学结构图

103-81-1
SMILES: NC(=O)Cc1ccccc1

化学属性

Mol. FormulaC8H9NO
Mol. Weight135.16
Melting Point156°C
Boiling Point312.2°C at 760 mmHg
Solubility溶于热水、乙醇，微溶于冷水、乙醚、苯。

别名和识别编码

Chemical Name2-Phenylacetamide
CAS Number103-81-1
Alfabeta NamePHENYLACETAMIDE 2-
MDL NumberMFCD00059193
Synonym 2-Phenylacetamide {LY} 2-Phenylacetamide {} {LY} 2-Phenylacetamide {} {} {LY} 2-Phenylacetamide {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phe
EC Number203-147-0
Beilstein Registry Number507886
Reaxys-RN507886
PubChem Substance ID7680
Merck Number7266
Chemical Name Translation2-苯乙酰胺
Wiswesser Line NotationZV1R
LabNetwork Molecule IDLN00159648
InChIInChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
Canonical SMILESO=C(N)CC1=CC=CC=C1
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分类

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

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 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

Warnings IRRITANT
RTECSAC7705000
Hazard Codes Xi
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 430 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 10,579,1976

GHS Symbol
Signal word
WGK Germany3
Risk Statements
Precautionary statements
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:该品用作医药、农药、香料的中间体。在医药工业中是青霉素G的培养基和镇静药物苯巴比妥的原料。
  • Sigma Aldrich:103-81-1(sigmaaldrich)
  • 下游产品:苯乙酸乙酯 --> 敌鼠 --> 苯巴比妥
  • 2-苯乙酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0120 2-苯基乙酰胺 2-Phenylacetamide 500G 3600元 2014/06/02 P0120 2-苯基乙酰胺 2-Phenylacetamide 25G 457元
  • 上游原料:苄基氯 --> 氰化苄 --> 浓盐酸 --> 活性炭(脱色) --> 苯乙酸 --> 二甲胺水溶液 --> 多硫化铵
  • MOL 文件:103-81-1.mol
  • TCI Shanghai:2-苯基乙酰胺 2-Phenylacetamide,>;98.0%(T)(103-81-1)
  • Hazard Note:Irritant
  • MSDS 信息:α-苯基乙酰胺(103-81-1).msds
  • 用途一:用作青霉素G和苯巴比妥等药物的中间体，也用于有机合成
  • 图谱信息:2-苯乙酰胺(103-81-1)红外图谱(IR1) 2-苯乙酰胺(103-81-1)Raman光谱 2-苯乙酰胺(103-81-1)核磁图( 1 HNMR) 2-苯乙酰胺(103-81-1)质谱(MS) 2-苯乙酰胺(103-81-1)核磁图( 13 CNMR) 2-苯乙酰胺(103-81-1)红外图谱(IR2)
  • 方法一:将苯乙烯、硫磺、液氨和水投入高压釜，于165℃、约6.5MPa压力下反应，然后加热蒸发赶去硫化氢气体，加活性炭脱色、冷却、结晶、甩滤、干燥而得苯乙酰胺。此法可改进为管道化连续生产，将苯乙烯与多硫化铵液按体积比1:2配合，通过高压管道，反应温度为200℃，反应压力为6-7.8MPa，反应时间为1.5h。反应产物的后处理工艺过程与高压釜间歇法相似。原料消耗定额：苯乙烯（99%）1117kg/t、硫磺（98.5%）716kg/t、液氨（99%）539kg/t、活性炭47kg/t。另一种生产方法是将苯乙腈（由氯化苄和氰化钠在二甲胺水溶液中反应得到）在硫酸或盐酸中加热水解。将苯乙腈加入浓盐酸，搅拌溶解，在50℃反应半小时。然后在冷却下缓缓加入水析出结晶，冷却后过滤，用冰水洗涤即得粗品。粗品用碳酸钠溶液洗涤，再用冰水洗涤，干燥后可得较纯的苯乙酰胺。原料消耗定额：氯化苄（95%）1190kg/t、氰化钠（95%）527kg/t、二甲胺（工业品）20kg/t、碳酸钠（工业品）185kg/t、硫酸（92.5%）1760kg/t。
  • 外观性质:白色片状或叶状晶体。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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