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

HCID 3025901CAS 166978-49-0

기본 정보

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

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.

공급사9 곳

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
BOC Sciences16314854226 · [email protected]

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