1-(벤젠술포닐)-1H-피롤로[2,3-b]피리딘-3-보론산피나콜에스테르

1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

HCID 45588137

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 886547-94-0
표준 SMILES: CC1(C)OB(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)OC1(C)C
InChIKey: KZANVIJXSQABKR-UHFFFAOYSA-N
분자식: C19H21BN2O4S
평균 분자량: 384.3 g/mol
단동위원소 질량: 384.13150855

이름 및 식별자

우선 이름: 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
IUPAC: 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
현지명: 1-(벤젠술포닐)-1H-피롤로[2,3-b]피리딘-3-보론산피나콜에스테르
영어명: 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester
분자식: C19H21BN2O4S
분자량: 384.26

이름 및 동의어

886547-94-01-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine1-(PHENYLSULFONYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINEMFCD099991941-(BENZENESULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-BORONIC ACID PINACOL ESTER1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridineC19H21BN2O4S1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine1-(PHENYLSULFONYL)-7-AZAINDOLE-3-BORONIC ACID PINACOL ESTER1-(Phenylsulfonyl);-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrolo[2,3-b]pyridine(1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

이름 더 보기

1-(벤젠술포닐)-1H-피롤로[2,3-b]피리딘-3-보론산피나콜에스테르1-(Phenylsulfonyl)-7-Azai...1-(Phenylsulfonyl)-7-azaindole-3-boronic1-(Phenylsulfonyl)-7-Azaindole-3-boronic acid pinacol1-(Phenylsulfonyl)-7-azaindole-3-boronic acid, poinacol ester1-Phenylsulfonyl-7-azaindole-3-boronic acid pinacol ester, 95%,1-Phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester

1-Phenylsulfonyl-7-azaindole-3-boronic acid pinacol ester1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrrolo[2,3-b]pyridineSCHEMBL1045785SCHEMBL30235753DTXSID60670566KZANVIJXSQABKR-UHFFFAOYSA-NCS-B0525AKOS005146502

데이터베이스 식별자

CAS: 886547-94-0
PubChem CID: 45588137
DTXSID: DTXSID60670566
EC Number: 677-253-4

물성

구조 계산 물성

극성 표면적: 78.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 27
형식 전하: 0
복잡도: 641

물리화학적 성질

녹는점: 355 · 355-360°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: solid
InChI: 1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
InChIKey: KZANVIJXSQABKR-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2cn(c3ncccc23)S(=O)(=O)c4ccccc4

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.