tert-butyl (3Z)-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene)pyrrolidine-1-carboxylate
기본 정보
- CAS
2376591-84-1- 표준 SMILES
CC(C)(C)OC(=O)N1CC/C(=C/B2OC(C)(C)C(C)(C)O2)C1- InChIKey
CPKMTYPRYKIRQC-UHFFFAOYSA-N- 분자식
- C16H28BNO4
- 평균 분자량
- 309.2 g/mol
- 단동위원소 질량
- 309.2111385
이름 및 식별자
- 우선 이름
- tert-butyl (3Z)-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3Z)-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine-1-carboxylate
- 영어명
- 1-Pyrrolidinecarboxylic acid, 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene]-, 1,1-dimethylethyl ester
- 분자식
- C16H28BNO4
- 분자량
- 309.21
이름 및 동의어
2376591-84-12376764-71-3tert-butyl 3-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine-1-carboxylatetert-butyl (3Z)-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine-1-carboxylatetert-butyl 3-((tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene)pyrrolidine-1-carboxylatetert-butyl (3Z)-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene)pyrrolidine-1-carboxylateRefChem:891882874-595-8968-811-0tert-butyl (3Z)-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene]pyrrolidine-1-carboxylatetert-Butyl 3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)pyrrolidine-1-carboxylatetert-Butyl (Z)-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)pyrrolidine-1-carboxylate
이름 더 보기
(1-Boc-pyrrolidin-3-ylidene)methylboronic Acid Pinacol Estertert-butyl 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene]pyrrolidine-1-carboxylate - [B85687]1-Pyrrolidinecarboxylic acid, 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene]-, 1,1-dimethylethyl ester
tert-butyl (3Z)-3-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine-1-carboxylateMFCD31434349AKOS037621447AS-84864tert-butyl 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene]pyrrolidine-1-carboxylateCS-0177585SCHEMBL41988548SY280619
데이터베이스 식별자
- CAS
2376591-84-1、2376764-71-3- PubChem CID
- 137949075
- EC Number
- 874-595-8、968-811-0
물성
구조 계산 물성
- 극성 표면적
- 48 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 463
물리화학적 성질
- 끓는 점
- 349.6 · 349.6±52.0 °C(Predicted)
- 밀도
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- -1.46 · -1.46±0.20(Predicted)
- InChI
- InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-9-8-12(11-18)10-17-21-15(4,5)16(6,7)22-17/h10H,8-9,11H2,1-7H3
- InChIKey
- CPKMTYPRYKIRQC-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(=CB2OC(C)(C)C(C)(C)O2)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
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