기본 정보
- CAS
135042-17-0- 표준 SMILES
COC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C- InChIKey
MZMNEDXVUJLQAF-JGVFFNPUSA-N- 분자식
- C11H19NO5
- 평균 분자량
- 245.27 g/mol
- 단동위원소 질량
- 245.12632271
이름 및 식별자
- 우선 이름
- 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
- 영어명
- N-Boc-Trans-4-Hydroxy-D-proline methyl ester
- 분자식
- C11H19NO5
- 분자량
- 245.27
이름 및 동의어
135042-17-01-tert-butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylateDTXSID70426233RefChem:235321DTXCID00377067828-101-2(2R,4S)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-BOC-TRANS-4-HYDROXY-D-PROLINE METHYL ESTERMFCD09954932trans-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateBoc-D-trans-Hyp-Ome1145663-09-7
이름 더 보기
N-Boc-trans-D-Hyp-Ometrans-Boc-D-Hpy-Ome(Tert-Butoxy)Carbonyl D-trans-Hyp-OMeMethyl (4S)-1-Boc-4-hydroxy-D-prolinateBoc-trans-4-Hydroxy-D-proline Methyl esterN-Boc-Trans-4-Hydroxy-D-Proline Methyl Este(2R,4S)-N-Boc-4-hydroxyproline methyl ester
Boc-trans-D-Hyp-OMe1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylateEN300-208500Methyl (2R,4S)-1-Boc-4-hydroxypyrrolidine-2-carboxylate(2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester1-(1,1-dimethylethyl) 2-methyl (2R,4S)-4-hydroxy-1,2-pyrrolidinedicarboxylate1-(tert-butyl) 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylateMZMNEDXVUJLQAF-JGVFFNPUSA-N
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 309
물리화학적 성질
- 녹는점
- 89 · 89-92 °C
- 끓는 점
- 335.2 · 335.2±42.0 °C(Predicted)
- 밀도
- 1.216 · 1.216±0.06 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.27 · 14.27±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChI
- InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m0/s1
- InChIKey
- MZMNEDXVUJLQAF-JGVFFNPUSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)C[C@@H](O)C[C@@H]1C(OC)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
용도N-Boc-Trans-4-Hydroxy-D-proline methyl ester is a valuable organic compound that could be used to synthesis 1-tert-Butyl 2-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
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