2-[(4-메톡시페닐)술포닐]아세트산에틸에스테르

2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester

HCID 1482372CAS 2850-21-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChIKey: HJUXYQLTIVYHIN-UHFFFAOYSA-N
분자식: C11H14O5S
평균 분자량: 258.29 g/mol
단동위원소 질량: 258.05619455

이름 및 식별자

우선 이름: 2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester
IUPAC: ethyl 2-(4-methoxyphenyl)sulfonylacetate
현지명: 2-[(4-메톡시페닐)술포닐]아세트산에틸에스테르
영어명: 2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester
분자식: C11H14O5S
분자량: 258.29

이름 및 동의어

2850-21-72-[(4-methoxyphenyl)sulfonyl]acetic acid ethyl esterethyl 2-[(4-methoxyphenyl)sulfonyl]acetateETHYL 2-(4-METHOXYBENZENESULFONYL)ACETATEEthyl 2-((4-methoxyphenyl)sulfonyl)acetateethyl 2-(4-methoxyphenyl)sulfonylacetateSCHEMBL5860960DTXSID50363258HJUXYQLTIVYHIN-UHFFFAOYSA-NAKOS005098169Ethyl (4-methoxybenzene-1-sulfonyl)acetateCS-0333363

이름 더 보기

2-[(4-메톡시페닐)술포닐]아세트산에틸에스테르Acetic acid, 2-[(4-methoxyphenyl)sulfonyl]-, ethyl ester

ETHYL2-(4-METHOXYBENZENESULFONYL)ACETATE(4-methoxy-benzenesulfonyl)acetic acid ethyl ester(4-methoxy-phenylsulfonyl)-acetic acid ethyl ester6X-0941F731015(4-methoxy-benzenesulfonyl)-acetic acid ethyl ester2-(4-methoxy-benzenesulfonyl)-acetic acid ethyl ester2-(4-methoxy-benzenesulfonyl)acetic acid ethyl ester

데이터베이스 식별자

CAS: 2850-21-7
PubChem CID: 1482372
DTXSID: DTXSID50363258

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 335

물리화학적 성질

끓는 점: 154 °C · 154 °C(Press: 0.0002 Torr)
밀도: 1.24 · 1.240

화학 및 산업

응용 분야

용도Ethyl 2-[(4-Methoxyphenyl)Sulfonyl]acetate is used as a reactant in the preparation of (hetero)aryl alkyl sulfones via palladium-catalyzed three-component reaction of (hetero)aryl boronic acids, alkyl halides and potassium metabisulfite.