2-フェニルアセトアミド

Benzeneacetamide

HCID 7680CAS 103-81-1

基本情報

標準SMILES
NC(=O)Cc1ccccc1
InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N
分子式
C8H9NO
平均分子量
135.16 g/mol
単同位体質量
135.06841391

概要

2-phenylacetamide is a monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. It has a role as a mouse metabolite. It is functionally related to a phenylacetic acid.

名称と識別子

優先名称
Benzeneacetamide
IUPAC
2-phenylacetamide
現地名
2-フェニルアセトアミド
英語名
2-Phenylacetamide
分子式
C8H9NO
分子量
135.16

名称と別名

2-PHENYLACETAMIDE103-81-1PhenylacetamideBenzeneacetamidealpha-Toluamidealpha-PhenylacetamidePhenylacetic acid amideAcetamide, 2-phenyl-Phenyl-beta-acetylaminealpha-Toluimidic acid5R219M9TJFCHEBI:16562
名称をさらに表示
2-フェニルアセトアミドα-フェニルアセトアミドベンゼンアセトアミドα-トルアミドフェニルアセトアミドフェニル酢酸アミド-Toluamideα-ToluamidePhenacetamide2-PheylacetamidePHENYLETHANAMIDE
NSC-1877DTXSID1059282RefChem:555921DTXCID1032771203-147-02-phenyl-AcetamideMFCD00059193.alpha.-Toluamide

データベース識別子

CAS
103-81-1
PubChem CID
7680
DTXSID
DTXSID1059282
ChEMBL
CHEMBL347645
ChEBI
CHEBI:16562
UNII
5R219M9TJF
EC Number
203-147-0
Nikkaji
J55.331J

物性

構造計算による物性

XLogP
0.5
極性表面積
43.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.000344 [mmHg]
Physical Description · 2 件

Solid; [Merck Index]

Solid

物理化学的性質

融点
156 °C · 156 °C
沸点
280 · 280-290 °C (dec.)
比重(密度)
1.1031 · 1.1031 (rough estimate)
屈折率
1.5589 · 1.5589 (estimate)
貯蔵温度
Refrigerator
溶解性
メタノールに可溶。
化学的性質 · 1 件

化学的特性2-Phenylacetamide, also known as alpha-toluamide or benzeneacetamide, belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Pure crystals are plate shaped and colorless to white. soluble in hot water, ethanol, slightly soluble in cold water, ether and benzene.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn eye irritant; A possible sensitizer; Harmful by ingestion; [Aldrich MSDS] See 2-Chloro-N-phenylacetamide.
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

安全データ

tsca
TSCA listed
rtecs
AC7705000
毒性
LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76
hs_code
29242990
risk_code
22-36
化審法
(9)-1200

化学と産業

用途と製造

UsesUsed to make penicillin G; [Merck Index]
General Manufacturing InformationBenzeneacetamide: INACTIVE
応用分野 · 2 件

使用In agriculture, 2-Phenylacetamid can be used in the production of many important intermediates of pesticides, such as carbamine. In the field of dyes: it can react with some monomers with color to produce some important raw materials for blue and purple dyes. In the field of fragrances, it can be used as an important raw material for the synthesis of certain spices and flavors. 2-Phenylacetamide can also be used in the synthesis of organometallic, organic peroxide, organic peroxide ester, and other compounds, and can be used as a crosslinking agent for polymers, a film forming agent for coatings, a plasticizer for plastics, etc.

使用2-Phenylacetamide is used as a pharmaceutical intermediate in the production of penicillin G and phenobarbital, etc. It is also used in organic synthesis.

調製方法 · 2 件

製造方法Synthesis of 2-phenylacetamide: Add concentrated hydrochloric acid to phenylacetonitrile, stir to dissolve, and react at 50°C for half an hour. Then slowly add water under cooling to separate out crystals, filter after cooling, wash with ice water to obtain crude product. The crude product was washed with sodium carbonate solution, then washed with ice water, and dried to obtain purer phenylacetamide.

純化方法Crystallise the acetamide repeatedly from absolute EtOH, EtOAc (m 160-161o) or H2O (m 159-160o). Dry it in vacuo over P2O5. [Beilstein 9 H 347, 9 III 2193, 9 IV 1632.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

補足説明

定義ChEBI: 2-phenylacetamide is a monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. It has a role as a mouse metabolite. It derives from a phenylacetic acid.

関連反応

63 件

関連ノート

読み込み中…