N-メトキシ-N-メチルベンズアミド

N-Methoxy-N-methylbenzamide

HCID 569575CAS 6919-61-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CON(C)C(=O)c1ccccc1
InChIKey: UKERDACREYXSIV-UHFFFAOYSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol
単同位体質量: 165.07897859

概要

N-methoxy-N-methylbenzamide is the Weinreb amide of benzoic acid.

名称と識別子

優先名称: N-Methoxy-N-methylbenzamide
IUPAC: N-methoxy-N-methylbenzamide
現地名: N-メトキシ-N-メチルベンズアミド
英語名: N-Methoxy-N-methylbenzamide
分子式: C9H11NO2
分子量: 165.19

名称と別名

N-Methoxy-N-methylbenzamide6919-61-5N-Methyl-N-methoxybenzamidemethyl N-methylbenzohydroxamateCHEBI:59742DTXSID80341044RefChem:163656DTXCID00292125805-987-9UKERDACREYXSIV-UHFFFAOYSA-NMFCD00075320N-methoxy-N-methyl-benzamide

名称をさらに表示

N-メチルベンゾヒドロキサム酸メチルN-メトキシ-N-メチルベンズアミドN-メチル-N-メトキシベンズアミドN-Methoxy-N-methylbenzamide >Methyl N-methylbenzohydroxamateN-Methoxy-N-methylbenzenecarboxamideN-Benzoyl-N-methyl-O-methylhydroxylamineN-Methylbenzohydroxamic acid methyl ester

N-methoxy-N-methylbenzamidN-Methoxy-N-methylbenzamide, 98%AKOS005259450CS-W017890SY052485M2672Q27126879Benzamide, N-methoxy-N-methyl-

データベース識別子

CAS: 6919-61-5
PubChem CID: 569575
DTXSID: DTXSID80341044
ChEBI: CHEBI:59742
EC Number: 805-987-9
Nikkaji: J314.503D

物性

構造計算による物性

XLogP: 0.7
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 153

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

沸点: 70 °C0.1 · 70 °C0.1 mm Hg(lit.)
比重(密度): 1.085 g/mL · 1.085 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.533(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
色: 無色～黄色
InChI: InChI=1S/C9H11NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey: UKERDACREYXSIV-UHFFFAOYSA-N
SMILES: C(N(OC)C)(=O)C1=CC=CC=C1

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全データ

wgk: 3
hs_code: 2928009090
消防法: 危-4-3-III
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用N-Methoxy-N-methylbenzamide is used to prepare orally bioavailable tetrasubstituted imidazoles as inhibitors of p38 mitogen-activated protein kinase. It is used to synthesize benzofuran and benzothiophene biphenyls as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties.

一般的な説明N-Methoxy-N-methylbenzamide is an N,N-disubstituted benzamide. also referred as Weinreb amide., Hydrogen bonding interactions between thioacetamide and N-methoxy-N-methylbenzamide has been investigated using near-infrared absorption spectroscopy. Preparation of N-methoxy-N-methylbenzamide has been reported.