(2S,4S)-1-tert-butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate

HCID 11242503

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 169032-99-9
표준 SMILES: COC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)OC(C)(C)C
InChIKey: XNKQYQOTERJNHJ-YUMQZZPRSA-N
분자식: C11H18ClNO4
평균 분자량: 263.72 g/mol
단동위원소 질량: 263.09243574

이름 및 식별자

우선 이름: (2S,4S)-1-tert-butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-chloropyrrolidine-1,2-dicarboxylate
영어명: (2S,4S)-1-tert-butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
분자식: C11H18ClNO4
분자량: 263.72

이름 및 동의어

169032-99-9(2S,4S)-1-tert-butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate1-tert-butyl 2-methyl (2S,4S)-4-chloropyrrolidine-1,2-dicarboxylateMFCD090297031-O-tert-butyl 2-O-methyl (2S,4S)-4-chloropyrrolidine-1,2-dicarboxylate(2S,4S)-4-Chloro-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-CHLORO-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2S,4S)-(2S,4S)-4-CHLORO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER1-(tert-butyl) 2-methyl (2S,4S)-4-chloropyrrolidine-1,2-dicarboxylate1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-chloro-1,2-pyrrolidinedicarboxylateAMY15780(2S,4S)-1-tert-butyl2-methyl4-chloropyrrolidine-1,2-dicarboxylate

이름 더 보기

N-Boc-Cis-4-Chloro-L-proline methyl ester(2S,4S)-1-tert-butyl 2-Methyl 4-chloropyrrolidine-1,2-dicarboxyl1-tert-butyl 2-methyl (2S,4S)-4-chloropyrrolidine-1,2-dicarboxylate - [B83540]

SCHEMBL5406201DTXSID60459898XNKQYQOTERJNHJ-YUMQZZPRSA-NAKOS015850981AKOS015962725AS-47249SY511109CS-0207602

데이터베이스 식별자

CAS: 169032-99-9
PubChem CID: 11242503
DTXSID: DTXSID60459898

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 313

물리화학적 성질

끓는 점: 332.4 · 332.4±42.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -5.38 · -5.38±0.60(Predicted)
InChI: InChI=1S/C11H18ClNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey: XNKQYQOTERJNHJ-YUMQZZPRSA-N
SMILES: N1(C(OC(C)(C)C)=O)C[C@@H](Cl)C[C@H]1C(OC)=O