N-Boc-4,4-difluoro-L-proline methyl ester

HCID 11129200

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 203866-17-5
표준 SMILES: COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C
InChIKey: RQDZKOOUQIDZOG-ZETCQYMHSA-N
분자식: C11H17F2NO4
평균 분자량: 265.25 g/mol
단동위원소 질량: 265.11256446

이름 및 식별자

우선 이름: N-Boc-4,4-difluoro-L-proline methyl ester
IUPAC: 1-O-tert-butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
영어명: N-Boc-4,4-difluoro-L-proline methyl ester
분자식: C11H17F2NO4
분자량: 265.25

이름 및 동의어

N-BOC-4,4-DIFLUORO-L-PROLINE METHYL ESTERRefChem:8293181-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate805-080-8203866-17-5(S)-1-tert-butyl 2-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate1-tert-butyl 2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylateMFCD030949181,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-1-(tert-butyl) 2-methyl (S)-4,4-difluoropyrrolidine-1,2-dicarboxylate1-O-tert-butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylateBOC-4,4-DIFLUORO-L-PROLINE METHYL ESTER

이름 더 보기

N-Boc-4,4-Difluoro-L<BOC-L-PRO(4,4-DIFLUORO)-OMEMethyl (S)-1-Boc-4,4-difl...N-T-BOC-4,4-DIFLUORO-L-PROLINE METHYL ESTERN-Boc-4,4-Difluoro-L-proline Methyl ester 97%(2S)-N-Boc-4,4-difluoro-L-proline methyl esterN-Boc-4,4-difluoro-L-proline Methyl Ester,99%e.e.BOC-4,4-DIFLUORO-L-PROLINE METHYL ESTER USP/EP/BP

O1-tert-Butyl O2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylateCS-W001497METHYL (S)-1-BOC-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLATEBCP21719SCHEMBL706243CHEMBL4924940DTXSID90456299AKOS015920188

데이터베이스 식별자

CAS: 203866-17-5
PubChem CID: 11129200
DTXSID: DTXSID90456299
ChEMBL: CHEMBL4924940
EC Number: 805-080-8
Nikkaji: J932.824F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 351

물리화학적 성질

녹는점: 41 · 41-46 °C
끓는 점: 293 ℃ · 293℃
밀도: 1.22 · 1.22
인화점: 110 °C · 110 °C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -8 · -8.00±0.60(Predicted)
물리적 상태: White to off-white crystalline powder
주요 응용: 펩타이드 합성
InChI: InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey: RQDZKOOUQIDZOG-ZETCQYMHSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(F)(F)C[C@H]1C(OC)=O