5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one

HCID 21955795

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 376584-62-2
표준 SMILES: CC1(C)OB(c2ccc3c(c2)CNC3=O)OC1(C)C
InChIKey: CLACMCLRELMFLJ-UHFFFAOYSA-N
분자식: C14H18BNO3
평균 분자량: 259.11 g/mol
단동위원소 질량: 259.1379736

이름 및 식별자

우선 이름: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
영어명: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
분자식: C14H18BNO3
분자량: 259.11

이름 및 동의어

376584-62-25-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-oneMFCD110403935-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one1-Isoindolinone-5-boronic acid pinacol ester5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-ISOINDOLINONE5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-2,3-DIHYDRO-ISOINDOL-1-ONE5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydroisoindol-1-oneSCHEMBL2741971-OXOISOINDOLINE-5-BORONIC ACID PINACOL ESTER

이름 더 보기

1-Oxoisoindolin-5-ylboronic acid pinacol ester1-Isoindolinone-5-boronicacidpinacolester,96%1-Oxoisoindoline-5-boronic acid, pinacol ester1-Oxo-2,3-dihydro-isoindole-5-boronic acid picol ester1-Oxo-2,3-dihydro-isoindole-5-boronic acid pinacol ester5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ON5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Isoindolin-1-...

(1-OXOISOINDOLIN-5-YL)BORONIC ACID PINACOL ESTERDTXSID20620749CLACMCLRELMFLJ-UHFFFAOYSA-N2,3-DIHYDRO-1H-ISOINDOL-1-ONE-5-BORONIC ACID PINACOL ESTERAKOS015842288CS-W003932PB28195NCGC01453503-01

데이터베이스 식별자

CAS: 376584-62-2
PubChem CID: 21955795
DTXSID: DTXSID20620749
EC Number: 807-261-7

물성

구조 계산 물성

극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 380

물리화학적 성질

끓는 점: 476.6 · 476.6±45.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): 13.95 · 13.95±0.20(Predicted)
수용성: 물에 약간 용해됩니다.
InChI: 1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-16-12(11)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKey: CLACMCLRELMFLJ-UHFFFAOYSA-N
SMILES: CC1(OB(C2=CC=C3C(NCC3=C2)=O)OC1(C)C)C