트랜스-1-Boc-3,4-피롤리딘디카르복실산,3-에틸에스테르
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
기본 정보
- CAS
252919-44-1- 표준 SMILES
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O- InChIKey
BHOJIKSQYLVZHD-RKDXNWHRSA-N- 분자식
- C13H21NO6
- 평균 분자량
- 287.31 g/mol
- 단동위원소 질량
- 287.13688739
이름 및 식별자
- 우선 이름
- rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4S)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- 현지명
- 트랜스-1-Boc-3,4-피롤리딘디카르복실산,3-에틸에스테르
- 영어명
- trans-1-Boc-3,4-pyrrolidinedicarboxylic acid, 3-ethyl ester
- 분자식
- C13H21NO6
- 분자량
- 287.31
이름 및 동의어
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acidrac-(3R,4R)-1-((tert-butoxy)carbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acidRefChem:873876858-143-7595547-21-0(3S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACIDrel-(3S,4S)-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid(3S,4S)-1-tert-butoxycarbonyl-4-ethoxycarbonyl-pyrrolidine-3-carboxylic acidSCHEMBL3369193BHOJIKSQYLVZHD-RKDXNWHRSA-NMFCD29038963AKOS030211511
이름 더 보기
트랜스-1-Boc-3,4-피롤리딘디카르복실산,3-에틸에스테르-4-(ethoxycarbonyl)trans-1-(tert-Butoxycarbonyl)trans-1-Boc-3,4-pyrrolidinedicarboxylic acid, 3-ethyl esterrel-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acidtrans-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acidRel-(3R,4R)-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R,4R)-rel-(3S,4S)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
G14981W13159EN300-20813468F531265(3S*,4S*)-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid(3S*,4S*)-Pyrrolidine-1,3,4-tricarboxylic acid 1-tert-butyl ester 3-ethyl ester(3S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLICACID(3S,4S)-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)tetrahydro-1H-pyrrole-3-carboxylic acid
데이터베이스 식별자
- CAS
252919-44-1- PubChem CID
- 11437663
- EC Number
- 858-143-7
- Nikkaji
- J1.921.835J
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 400
물리화학적 성질
- 끓는 점
- 405.4 · 405.4±45.0 °C(Predicted)
- 밀도
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.07 · 4.07±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
관련 반응
3건
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