tert-Butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate

HCID 54576812

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 877399-35-4
표준 SMILES: CC(C)(C)OC(=O)N1CC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1
InChIKey: JGJAAWHJOWNRBD-UHFFFAOYSA-N
분자식: C17H28BN3O4
평균 분자량: 349.2 g/mol
단동위원소 질량: 349.21728678

이름 및 식별자

우선 이름: tert-Butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate
IUPAC: tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate
영어명: TERT-BUTYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)AZETIDINE-1-CARBOXYLATE
분자식: C17H28BN3O4
분자량: 349.23

이름 및 동의어

877399-35-4TERT-BUTYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)AZETIDINE-1-CARBOXYLATEtert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylateDTXSID80712311RefChem:383301DTXCID40663057tert-butyl 3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylateMFCD183832851-(1-Boc-3-azetidinyl)pyrazole-4-boronic acid pinacol estertert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate(1-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-Azetidinecarboxylic acid,3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-,1,1-dimethylethyl ester

이름 더 보기

1-BOC-3-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]azetidine - [T11814]tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carbtert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylat

3-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRAZOL-1-YL]-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Boc-3-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]azetidineSCHEMBL660078JGJAAWHJOWNRBD-UHFFFAOYSA-NAKOS025291187EBC-465064PB11673AS-41931

데이터베이스 식별자

CAS: 877399-35-4
PubChem CID: 54576812
DTXSID: DTXSID80712311
EC Number: 987-691-0

물성

구조 계산 물성

극성 표면적: 65.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 512

물리화학적 성질

끓는 점: 465.7 · 465.7±35.0 °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
산도 계수 (pKa): 2.63 · 2.63±0.19(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

상·하류 제품 정보

상류 원료

공급사64 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

화합물 노트

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