1-(페닐설포닐)인돌-3-붕소산 피나콜 에스테르
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
기본 정보
- CAS
870717-93-4- 표준 SMILES
CC1(C)OB(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)OC1(C)C- InChIKey
OMZLHWZHHPAZPW-UHFFFAOYSA-N- 분자식
- C20H22BNO4S
- 평균 분자량
- 383.3 g/mol
- 단동위원소 질량
- 383.13625958
이름 및 식별자
- 우선 이름
- 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
- IUPAC
- 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
- 현지명
- 1-(페닐설포닐)인돌-3-붕소산 피나콜 에스테르
- 영어명
- 1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%
- 분자식
- C20H22BNO4S
- 분자량
- 383.27
이름 및 동의어
870717-93-41-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole1-(Phenylsulfonyl)-3-indoleboronic acid pinacol ester1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indoleMFCD082767781-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole1-(Phenylsulfonyl)-3-indolylboronic acid pinacol esterCS-B1224SY096943(1-(PHENYLSULFONYL)-1H-INDOL-3-YL)BORONIC ACID PINACOL ESTER1-(Phenylsulfonyl)-3-lndoleboronic acid pinacol ester
이름 더 보기
1-(페닐설포닐)인돌-3-붕소산피나콜에스테르1-(페닐설포닐)인돌-3-보론산피나콜에스테르1-(Phenylsulfonyl)-3-indolylboronic1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%[1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%]1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan...1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester - [P14848]1-(BENZENESULFONYL)-3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLE
1-(Phenylsulfonyl)-1H-indole-3-boronic Acid Pinacol Ester1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indoleOMZLHWZHHPAZPW-UHFFFAOYSA-N1-(phenylsulfonyl)indolFT-0753119SCHEMBL3528138SCHEMBL29543831DTXSID60584674
데이터베이스 식별자
- CAS
870717-93-4- PubChem CID
- 16217945
- DTXSID
DTXSID60584674
물성
구조 계산 물성
- 극성 표면적
- 65.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- 녹는점
- 120 · 120-125℃
- 끓는 점
- 556.4 · 556.4±42.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 물리적 상태
- solid
- InChI
- 1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
- InChIKey
- OMZLHWZHHPAZPW-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2cn(c3ccccc23)S(=O)(=O)c4ccccc4
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 2933998090
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1-(Phenylsulfonyl)-3-indolylboronic Acid Pinacol Ester is used as a reactant in the preparation of 3-(2-(pyridyl)ethenyl)indoles that are tryptophan dioxygenase (TDO) inhibitors and potential anticancer immunomodulators.
관련 반응
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