(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

HCID 2734883CAS 74844-91-0

기본 정보

표준 SMILES: COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIKey: MZMNEDXVUJLQAF-SFYZADRCSA-N
분자식: C11H19NO5
평균 분자량: 245.27 g/mol
단동위원소 질량: 245.12632271

이름 및 식별자

우선 이름: (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
IUPAC: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
영어명: N-Boc-trans-4-Hydroxy-L-proline methyl ester
분자식: C11H19NO5
분자량: 245.27

이름 및 동의어

(2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTERRefChem:39895774844-91-0Boc-Hyp-OMeN-Boc-trans-4-hydroxy-L-proline methyl ester(2S,4R)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylaterel-Boc-Hyp-OMe1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateMFCD00076981BOC-L-Hydroxyproline methyl ester1145663-09-71-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

이름 더 보기

1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-BOC-4-HYDROXY-L-PROLINE METHYL ESTERGOSO-001BoC-Hyp-0meBOC-L-Hyp Methyl esterBOC-HYDROXYPROLINE-OMEN-Boc-trans-4-hydroxy-L

O1-TERT-BUTYL O2-METHYL (2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE1-(tert-Butyl) 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateM03218trans-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-tert-butoxycarbonyl-L-hydroxyproline methyl esterN-(tert-Butoxycarbonyl)-trans-4-hydroxy-L-proline Methyl EsterBOC-L-HYP-OMEMZMNEDXVUJLQAF-SFYZADRCSA-N

데이터베이스 식별자

CAS: 74844-91-0
PubChem CID: 2734883
DTXSID: DTXSID00370553
Nikkaji: J836.003K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 76.1 Å²
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: 92 · 92-96 °C (lit.)
끓는 점: 132 °C/0.05mmHg · 132°C/0.05mmHg(lit.)
밀도: 1.216 · 1.216±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄 및 에틸 아세테이트에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): 14.27 · 14.27±0.40(Predicted)
색상: 흰색~밝은 베이지
주요 응용: 펩타이드 합성
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+/m1/s1
InChIKey: MZMNEDXVUJLQAF-SFYZADRCSA-N
SMILES: N1(C(OC(C)(C)C)=O)C[C@H](O)C[C@H]1C(OC)=O
LogP: 0.813 at · 0.813 at 25℃

화학적 성질

Clear Colourless Oil

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도A potential iNOS inhibitor.

상·하류 제품 정보

상류 원료

하류 제품

N-Boc-4-oxo-L-Proline methyl ester 2-피롤리딘메탄올,4-하이드록시-,염산염(1:1),(2S,4R)-(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)quinoline-4-carboxamide 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine N-BOC-cis-4-fluoro-L-proline (2S,4S)-1-tert-butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate (2S,4R)-1-BOC-4-BENZYLOXY-PYRROLIDINE-2-DICARBOXYLICACID메틸에스테르

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

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