4-옥소-피롤리딘-1,2-디카르복실산1-TERT-부틸에스테르2-메틸에스테르

1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

HCID 4251853CAS 362706-26-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CC(=O)CN1C(=O)OC(C)(C)C
InChIKey: UPBHYYJZVWZCOZ-UHFFFAOYSA-N
분자식: C11H17NO5
평균 분자량: 243.26 g/mol
단동위원소 질량: 243.11067264

이름 및 식별자

우선 이름: 1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate
현지명: 4-옥소-피롤리딘-1,2-디카르복실산1-TERT-부틸에스테르2-메틸에스테르
영어명: 4-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
분자식: C11H17NO5
분자량: 243.26

이름 및 동의어

362706-26-11-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylateDTXSID30401243RefChem:436611DTXCID20352098889-656-44-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl esterN-Boc-4-oxo-L-proline methyl esterMFCD037013201-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester

이름 더 보기

4-옥소-피롤리딘-1,2-디카르복실산1-TERT-부틸에스테르2-메틸에스테르N-Boc-4-oxo-proline methyl esterN-Boc-4-oxo-DL-proline Methyl Ester1-tert-butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate(WX191708)1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate - [B93921]4-Oxo-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester

1-tert-Butyl2-methyl4-oxopyrrolidine-1,2-dicarboxylateSY191883methyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylatemethyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2carboxylate1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylateSCHEMBL719489UPBHYYJZVWZCOZ-UHFFFAOYSA-NO1-tert-butyl O2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

데이터베이스 식별자

CAS: 362706-26-1
PubChem CID: 4251853
DTXSID: DTXSID30401243
EC Number: 889-656-4

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 344

물리화학적 성질

끓는 점: 333.1 · 333.1±42.0 °C(Predicted)
밀도: 1.209 · 1.209±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.86 · -3.86±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.