4-[2-[5,6-디히드로-5,5-디메틸-8-[[(트리플루오로메틸)술포닐]옥시]-2-나프탈레닐]에티닐]벤조산에틸에스테르

4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic acid ethyl ester

HCID 12017638

기본 정보

CAS
171568-44-8
표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CCC3(C)C)cc1
InChIKey
RKJFWYTUBCPBEP-UHFFFAOYSA-N
분자식
C24H21F3O5S
평균 분자량
478.5 g/mol
단동위원소 질량
478.10617943

이름 및 식별자

우선 이름
4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic acid ethyl ester
IUPAC
ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate
현지명
4-[2-[5,6-디히드로-5,5-디메틸-8-[[(트리플루오로메틸)술포닐]옥시]-2-나프탈레닐]에티닐]벤조산에틸에스테르
영어명
4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic Acid Ethyl Ester
분자식
C24H21F3O5S
분자량
478.48

이름 및 동의어

171568-44-84-[2-[5,6-DIHYDRO-5,5-DIMETHYL-8-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-2-NAPHTHALENYL]ETHYNYL]BENZOIC ACID ETHYL ESTERethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic AciSCHEMBL6239862DTXSID80475893AKOS030255288DB-316115ethyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnaphth-3-yl)ethynyl]benzoateEthyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnapth-3-yl)ethynyl]benzoateEthyl 4-((5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoateEthyl 4-({5,5-dimethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6-dihydronaphthalen-2-yl}ethynyl)benzoate
이름 더 보기
4-[2-[5,6-디히드로-5,5-디메틸-8-[[(트리플루오로메틸)술포닐]옥시]-2-나프탈레닐]에티닐]벤조산에틸에스테르Ethyl 4-[2-[5,6-Dihydro-5,5-diMethyl-8-[[(trifluoroMethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoateBenzoic acid, 4-[2-[5,6-dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]-, ethyl ester
ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl) oxy-2-naphthalenyl)ethynyl]benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate

데이터베이스 식별자

CAS
171568-44-8
PubChem CID
12017638
DTXSID
DTXSID80475893
Nikkaji
J1.056.047K

물성

구조 계산 물성

XLogP
6.6
극성 표면적
78.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
33

물리화학적 성질

끓는 점
557.9 · 557.9±50.0 °C(Predicted)
밀도
1.38 · 1.38±0.1 g/cm3(Predicted)
용해도
클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
물리적 상태
고체
색상
하얀색

화학적 성질

White Solid

화학 및 산업

응용 분야

용도Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.

공급사7 곳

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]

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