CAS 27693-42-1 3,4-Dimethoxyphenyl 2-pyridyl ketone (HCID 119701)

기본 정보

CAS: 27693-42-1
표준 SMILES: COc1ccc(C(=O)c2ccccn2)cc1OC
InChIKey: CUTYZBYXXYWWHB-UHFFFAOYSA-N
분자식: C14H13NO3
평균 분자량: 243.26 g/mol
단동위원소 질량: 243.08954328

이름 및 식별자

우선 이름: 3,4-Dimethoxyphenyl 2-pyridyl ketone
IUPAC: (3,4-dimethoxyphenyl)-pyridin-2-ylmethanone
현지명: 3,4-디메톡시페닐2-피리딜케톤
영어명: 3,4-dimethoxyphenyl 2-pyridyl ketone
분자식: C14H13NO3
분자량: 243.26

이름 및 동의어

27693-42-12-(3,4-DIMETHOXYBENZOYL)PYRIDINE3,4-Dimethoxyphenyl 2-pyridyl ketone(3,4-dimethoxyphenyl)(pyridin-2-yl)methanone(3,4-dimethoxyphenyl)-pyridin-2-ylmethanoneMFCD07699275MHT46RR45XMethanone, (3,4-dimethoxyphenyl)-2-pyridinyl-EINECS 248-612-9(3,4-Dimethoxyphenyl)-2-pyridinylmethanone; 3,4-Dimethoxyphenyl 2-Pyridyl Ketone;(3,4-dimethoxyphenyl)-(2-pyridyl)methanoneMethanone,(3,4-dimethoxyphenyl)-2-pyridinyl-

이름 더 보기

3,4-디메톡시페닐2-피리딜케톤(3,4-Dimethoxyphenyl)(2-pyridinyl)methanone

UNII-MHT46RR45XSCHEMBL5074203DTXSID00182052AKOS012086198Ketone, 3,4-dimethoxyphenyl 2-pyridyl(3,4-Dimethoxyphenyl)-2-pyridinylmethanoneDB-344648CS-0336071

데이터베이스 식별자

CAS: 27693-42-1
PubChem CID: 119701
DTXSID: DTXSID00182052
UNII: MHT46RR45X
EC Number: 248-612-9
Nikkaji: J250.574F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 48.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 94 · 94-95 °C
끓는 점: 401.7 · 401.7±40.0 °C(Predicted)
밀도: 1.165 · 1.165±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.78 · 2.78±0.10(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도2-(3,4-Dimethoxybenzoyl)pyridine was synthesised and evaluated as potentially showing more antiinflammatory activity against carrageenan-induced edema in rat paws than 2-benzoylpyridine (B209570) in an effort to increase the efficacy of the latter. It was used as a reagent in the synthesis of 3,4-dihydroxyphenyl-(2-piperidyl)carbinols which are cyclic adrenaline derivatives, the most active of which may be potential powerful bronchodilators.