4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole

HCID 57477666

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 894807-98-8
표준 SMILES: CC1(C)OB(c2cnn(COCC[Si](C)(C)C)c2)OC1(C)C
InChIKey: FERKWUXUTFCIFW-UHFFFAOYSA-N
분자식: C15H29BN2O3Si
평균 분자량: 324.3 g/mol
단동위원소 질량: 324.20404972

이름 및 식별자

우선 이름: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
IUPAC: trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane
영어명: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-([2-(trimethylsilyl)ethoxy]methyl)-1H-pyrazole
분자식: C15H29BN2O3Si
분자량: 324.3

이름 및 동의어

894807-98-84-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazoleMFCD20486100Baricitinib Impurity 3trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-([2-(trimethylsilyl)ethoxy]methyl)-1H-pyrazoleSCHEMBL988724-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazoleSY1088741H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole

이름 더 보기

baricitiniBaricitinib Impurity 261-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrazole-4-boronic acid picol ester1-([2-(Trimethylsilyl)ethoxy]methyl)-1H-pyrazole-4-boronic acid pinacol ester1-((2-(trimethylsilyl)ethoxy)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrazole-4-boronic acid pinacol ester1-[[2-(Trimethylsilyl)ethoxy]methyl]-1H-pyrazole-4-boronic Acid Pinacol Ester4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-PyrazoleFT-07495944-(tetramethyl-1,3,2-dDTXSID20726836FERKWUXUTFCIFW-UHFFFAOYSA-NXH0295

데이터베이스 식별자

CAS: 894807-98-8
PubChem CID: 57477666
DTXSID: DTXSID20726836
EC Number: 193-582-1

물성

구조 계산 물성

극성 표면적: 45.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 371

물리화학적 성질

끓는 점: 395.1 · 395.1±27.0 °C(Predicted)
밀도: 1.01 · 1.01
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.52 · 1.52±0.10(Predicted)
InChI: InChI=1S/C15H29BN2O3Si/c1-14(2)15(3,4)21-16(20-14)13-10-17-18(11-13)12-19-8-9-22(5,6)7/h10-11H,8-9,12H2,1-7H3
InChIKey: FERKWUXUTFCIFW-UHFFFAOYSA-N
SMILES: N1(COCC[Si](C)(C)C)C=C(B2OC(C)(C)C(C)(C)O2)C=N1