3,4-디메톡시벤조페논

3,4-Dimethoxybenzophenone

HCID 286742CAS 4038-14-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(=O)c2ccccc2)cc1OC
InChIKey: WCNOATOQNSHEFK-UHFFFAOYSA-N
분자식: C15H14O3
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.09429431

이름 및 식별자

우선 이름: 3,4-Dimethoxybenzophenone
IUPAC: (3,4-dimethoxyphenyl)-phenylmethanone
현지명: 3,4-디메톡시벤조페논
영어명: 3,4-Dimethoxybenzophenone
분자식: C15H14O3
분자량: 242.27

이름 및 동의어

3,4-DIMETHOXYBENZOPHENONE4038-14-6DTXSID40301689RefChem:1065781DTXCID80252823(3,4-Dimethoxyphenyl)(Phenyl)MethanoneMethanone, (3,4-dimethoxyphenyl)phenyl-(3,4-dimethoxyphenyl)-phenylmethanoneMFCD00075875(3,4-Dimethoxyphenyl)-phenyl-methanon(3,4-Dimethoxyphenyl)phenylmethanone(3,4-Dimethoxyphenyl)-phenyl-methanone

이름 더 보기

3,4-디메톡시벤조페논AKOS 235-22(3,4-Dimethoxyphenyl)(phenyl)methanone, 4-Benzoylcatechol dimethyl ether

3,4-dimethoxyphenyl phenyl ketone(3,4-Dimethoxy-phenyl)-phenyl-methanone3,4-dimethoxy benzophenoneNSC145888(3,4-Dimethoxyphenyl)phenyl-methanone3,4-DimethoxybenzophOprea1_124417Oprea1_625204

데이터베이스 식별자

CAS: 4038-14-6
PubChem CID: 286742
DTXSID: DTXSID40301689
ChEMBL: CHEMBL1171353
Nikkaji: J767.111C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 103 · 103-104 °C
끓는 점: 235 °C · 235 °C(Press: 20 Torr)
밀도: 1.123 · 1.123±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
InChI: InChI=1S/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey: WCNOATOQNSHEFK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C(OC)=C1)(C1=CC=CC=C1)=O

안전 및 규제

안전 데이터

HS 번호: 2914500090

화학 및 산업

응용 분야

용도3,4-Dimethoxybenzophenone serves as a precursor to prepare 3,4-dimethoxybenzophenone oxime, which can be catalytically reduced to 1-(3,4-dimethoxyphenyl)-1-phenylmethylamine[1].

제조 방법

Obtained by reaction of benzoyl chloride with veratrolein the presence of aluminium chloride in carbon disulfide (68%) in the presence of zinc chloride.