(R)-(-)-N-Boc-3-피롤리디놀

tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate

HCID 6544479

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 109431-87-0
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H](O)C1
InChIKey: APCBTRDHCDOPNY-SSDOTTSWSA-N
분자식: C9H17NO3
평균 분자량: 187.24 g/mol
단동위원소 질량: 187.1208434

개요

See also: (R)-(+)-N-Boc-3-pyrrolidinol (annotation moved to).

이름 및 식별자

우선 이름: tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
IUPAC: tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
현지명: (R)-(-)-N-Boc-3-피롤리디놀
영어명: (R)-1-Boc-3-hydroxypyrrolidine
분자식: C9H17NO3
분자량: 187.24

이름 및 동의어

tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylateDTXSID40424908RefChem:1099495DTXCID20375742109431-87-0(R)-(-)-N-Boc-3-pyrrolidinol(R)-1-N-Boc-3-hydroxypyrrolidine(R)-1-Boc-3-hydroxypyrrolidine(r)-n-(tert-butoxycarbonyl)-3-hydroxypyrrolidineMFCD01317838(R)-1-N-Boc-3-hydroxy-pyrrolidine(r)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate

이름 더 보기

(R)-(-)-N-Boc-3-피롤리디놀tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate(R)-1-N-Boc-3-pyrrolidinolCAS:109431-87-0Ivankasse impurity 18Evocalcet impurity 34(R)-1-BOC-3- Pyrolidinol

(R)-3-Hydroxy-pyrrolidine-1-carboxylic acid tert-butyl esterTERT-BUTYL (R)-3-HYDROXYPYRROLIDINE-1-CARBOXYLATEN-BOC-(R)-3-HYDROXYPYRROLIDINEN-tert-butoxycarbonyl-(R)-3-hydroxypyrrolidine(3R)-N-tert-butoxycarbonyl-3-hydroxypyrrolidinet-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate(r)-n-boc-3-pyrrolidinol1-Boc-(R)-3-Hydroxypyrrolidine

데이터베이스 식별자

CAS: 109431-87-0
PubChem CID: 6544479
DTXSID: DTXSID40424908
Nikkaji: J593.631D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

녹는점: 62 · 62-65 °C(lit.)
끓는 점: 273.3 · 273.3±33.0 °C(Predicted)
밀도: 1.142 · 1.142±0.06 g/cm3(Predicted)
굴절률: -27 ° · -27 ° (C=1, MeOH)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 14.74 · 14.74±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKey: APCBTRDHCDOPNY-SSDOTTSWSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@@H](O)C1