기본 정보
- CAS
61478-26-0- 표준 SMILES
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1CO- InChIKey
UFJNFQNQLMGUTQ-JGVFFNPUSA-N- 분자식
- C10H19NO4
- 평균 분자량
- 217.26 g/mol
- 단동위원소 질량
- 217.13140809
개요
See also: (-)-N-Boc-L-4-hydroxyprolinol (annotation moved to).
이름 및 식별자
- 우선 이름
- N-Boc-trans-4-hydroxy-L-prolinol
- IUPAC
- tert-butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
- 영어명
- Boc-Hyp-ol
- 분자식
- C10H19NO4
- 분자량
- 217.26
이름 및 동의어
N-Boc-trans-4-hydroxy-L-prolinolRefChem:8293521,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate676-616-461478-26-0BOC-HYP-OL(2S,4R)-TERT-BUTYL 4-HYDROXY-2-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATEtert-butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylateMFCD02094386(2S,4R)-1-Boc-4-hydroxy-2-(hydroxymethyl)pyrrolidine(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-(hydroxymethyl)pyrrolidine(2S,4R)-4-Hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
이름 더 보기
BOC-TRANS-4-HYDROXY-L-PROLINOLBoc-HydroxyprolinolBOC-HYP-OL USP/EP/BPBoc-L-hydroxyprolinolBOC-PRO(4-HYDROXY)-OLBoc-trans-4-hydroxy-L
(2S,4R)-N-Boc-4-hydroxy-2-(hydroxymethyl)pyrrolidinetert-Butyl (2S,4R)-4-hydroxy-2-hydroxymethylpyrrolidine-1-carboxylate(2S,4R)-tert-Butyl 4-Hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; N-Boc-trans-4-hydroxy-L-prolinol; tert-Butyl (2S,4R)-4-Hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; tert-Butyl (2S,4R)-4-Hydroxy-2-hydroxymethylpyrrolidine-1-carboxylateSCHEMBL584549N-Boc-(2S,4R)-4-hydroxy-2-hydroxymethylpyrrolidineUFJNFQNQLMGUTQ-JGVFFNPUSA-DTXSID20460900(4R)-1-Boc-4-hydroxy-L-prolinol
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 236
물리화학적 성질
- 녹는점
- 81 · 81-86 °C (lit.)
- 끓는 점
- 340.3 · 340.3±27.0 °C(Predicted)
- 밀도
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.57 · 14.57±0.40(Predicted)
- 색상
- 하얀색
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1
- InChIKey
- UFJNFQNQLMGUTQ-JGVFFNPUSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)C[C@H](O)C[C@H]1CO
화학적 성질
Viscous Oil
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 6 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도BOC-HYP-OL is a useful reactant used in the preparation of 4-purinylpyrrolidine nucleosides, kinase inhibitors and antibacterial agents.
상·하류 제품 정보
상류 원료
하류 제품
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