4-[2-(5,6,7,8-테트라히드로-5,5-디메틸-8-옥소-2-나프탈레닐)에티닐]벤조산에틸에스테르
Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester
기본 정보
- CAS
166978-49-0- 표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1- InChIKey
HKLPOHJGESDTSC-UHFFFAOYSA-N- 분자식
- C23H22O3
- 평균 분자량
- 346.4 g/mol
- 단동위원소 질량
- 346.15689456
이름 및 식별자
- 우선 이름
- Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester
- IUPAC
- ethyl 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
- 현지명
- 4-[2-(5,6,7,8-테트라히드로-5,5-디메틸-8-옥소-2-나프탈레닐)에티닐]벤조산에틸에스테르
- 영어명
- 4-[2-(5,6,7,8-Tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoic Acid Ethyl Ester
- 분자식
- C23H22O3
- 분자량
- 346.42
이름 및 동의어
166978-49-04-[2-(5,6,7,8-TETRAHYDRO-5,5-DIMETHYL-8-OXO-2-NAPHTHALENYL)ETHYNYL]BENZOIC ACID ETHYL ESTERBenzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl esterethyl 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoateEthyl 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)benzoateethyl 4-[(5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoateBenzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethyl esterEthyl 4-((5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl)benzoateethyl 4-((5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateHKLPOHJGESDTSC-UHFFFAOYSA-N
이름 더 보기
4-[2-(5,6,7,8-테트라히드로-5,5-디메틸-8-옥소-2-나프탈레닐)에티닐]벤조산에틸에스테르Ethyl 4-[2-(5,6,7,8-Tetrahydro-5,5-diMethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate
SCHEMBL6236817DTXSID40168214AKOS030240244Benzoic acid,4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethylesterDB-342768ethyl 4- [(5,6,7,8 -tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateEthyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl ) ethynyl]benzoateethyl 4-[(5,6,7,8 -tetrahydro-8,8 -dimethyl-5-oxonaphth-3-yl)ethynyl]benzoate
데이터베이스 식별자
- CAS
166978-49-0- PubChem CID
- 3025901
- DTXSID
DTXSID40168214- Nikkaji
- J1.056.046B
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 597
물리화학적 성질
- 녹는점
- 147 oC · >147oC (dec.)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 갈색에서 갈색까지
화학적 성질
Off White Solid
화학 및 산업
응용 분야
용도Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.
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