CAS 1268816-65-4 tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylate (HCID 68054971)

기본 정보

CAS: 1268816-65-4
표준 SMILES: CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIKey: FUEVBSUAXZQOGV-UHFFFAOYSA-N
분자식: C17H30BNO4
평균 분자량: 323.2 g/mol
단동위원소 질량: 323.2267886

이름 및 식별자

우선 이름: tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylate
IUPAC: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylate
현지명: 4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-2,3,6,7-테트라히드로-아제핀-1-카르복실산tert-부틸에스테르
영어명: 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3,6,7-tetrahydro-azepine-1-carboxylic acid tert-butyl ester
분자식: C17H30BNO4
분자량: 323.24

이름 및 동의어

1268816-65-4tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylateDTXSID50737930RefChem:383495DTXCID90688674967-708-8tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylateMFCD196894241H-Azepine-1-carboxylic acid, 2,3,6,7-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester1-Boc-2,3,6,7-tetrahydro-1H-azepine-4-boronic Acid Pinacol Ester(1-(TERT-BUTOXYCARBONYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-4-YL)BORONIC ACID PINACOL ESTER4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3,6,7-tetrahydro-azepine-1-carboxylic acid tert-b

이름 더 보기

4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-2,3,6,7-테트라히드로-아제핀-1-카르복실산tert-부틸에스테르-2,3,6,7-tetrahydro-1H-azepine-1-carboxylatetert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-car

물성

구조 계산 물성

극성 표면적: 48 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 477

물리화학적 성질

끓는 점: 365 · 365.0±52.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.21 · -1.21±0.40(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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

공급사22 곳

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

上海药森生物科技有限公司18916117619 18916117619

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

南京药石科技股份有限公司025-86918202 4000255188 · [email protected]

화합물 노트

불러오는 중…

4-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-2,3,6,7-테트라히드로-아제핀-1-카르복실산tert-부틸에스테르