벤조산,5-(2-브로모아세틸)-2-하이드록시-,메틸에스테르

Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate

HCID 11601501CAS 36256-45-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc(C(=O)CBr)ccc1O
InChIKey: YRPHNSODVHXAOP-UHFFFAOYSA-N
분자식: C10H9BrO4
평균 분자량: 273.08 g/mol
단동위원소 질량: 271.96842087

이름 및 식별자

우선 이름: Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
IUPAC: methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
현지명: 벤조산,5-(2-브로모아세틸)-2-하이드록시-,메틸에스테르
영어명: Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
분자식: C10H9BrO4
분자량: 273.08

이름 및 동의어

Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate36256-45-8DTXSID70469286RefChem:355903DTXCID20420105MFCD09833483Benzoic acid, 5-(2-bromoacetyl)-2-hydroxy-, methyl esterEA9Q363KRAmethyl 5-bromoacetylsalicylateBenzoic acid, 5-(bromoacetyl)-2-hydroxy-, methyl esters11909methyl 5-(bromoacetyl)-2-hydroxybenzoate

이름 더 보기

벤조산,5-(2-브로모아세틸)-2-하이드록시-,메틸에스테르Labetalol Impurity 8Labetolol impurity 8Methyl 5-(bromoacetyl)salicylate3-CarboMethoxy-4-hydroxy-α-broMoacetMetribuzin Impurity 7 (Isomethiozin)5-(Bromoacetyl)salicylic acid methyl ester3-CarboMethoxy-4-hydroxy-α-broMoacetophenone

3-Carbomethoxy-4-hydroxy-a-bromoacetophenone5-(2-Bromoacetyl)-2-hydroxybenzoic Acid Methyl Ester; 5-(Bromoacetyl)salicylic Acid Methyl Ester; Methyl 5-(2-Bromoacetyl)-2-hydroxybenzoate; Methyl 5-(Bromoacetyl)-2-hydroxybenzoate; Methyl 5-(Bromoacetyl)salicylateAMY41499Methyl5-(2-broMMethyl 5-(2-bromoacetyl)-2-hydroxy-benzoateA8543135-(2-Bromoacetyl)-2-hydroxybenzoic acid methyl esterSCHEMBL6029423

데이터베이스 식별자

CAS: 36256-45-8
PubChem CID: 11601501
DTXSID: DTXSID70469286
UNII: EA9Q363KRA

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 254

물리화학적 성질

녹는점: 91 · 91-92℃
끓는 점: 390.2 · 390.2±32.0 °C(Predicted)
밀도: 1.601 · 1.601±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.52 · 7.52±0.20(Predicted)
색상: 미색부터 옅은 갈색까지

화학 및 산업

응용 분야

용도3-Carbomethoxy-4-hydroxy-α-bromoacetophenone, can be used for the synthesis of carboxyarylindoles and benzofurans as nonsteroidal antiinflammatory agents.

제조 방법

Obtained by reaction of dioxane dibromide with methyl 5-acetyl-2-hydroxybenzoate in dioxane/ethyl ether mixture (76%).

상·하류 제품 정보

상류 원료

공급사50 곳

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