1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

HCID 10868942CAS 146256-98-6

기본 정보

표준 SMILES: CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1=O
InChIKey: CWRFSVAKVCSOPI-UHFFFAOYSA-N
분자식: C12H19NO5
평균 분자량: 257.28 g/mol
단동위원소 질량: 257.12632271

이름 및 식별자

우선 이름: 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
IUPAC: 1-O-tert-butyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
영어명: 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
분자식: C12H19NO5
분자량: 257.28

이름 및 동의어

146256-98-61-tert-butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylateDTXSID50446535RefChem:436630DTXCID50397356808-003-6Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylateMFCD06656201Ethyl N-Boc-4-oxo-pyrrolidine-3-carboxylate4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl esterETHYL 1-BOC-4-OXOPYRROLIDINE-3-CARBOXYLATE1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester

이름 더 보기

O1-tert-Butyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate1-BoEOPCEthyl 1-Boc-4-Oxopyrrolid...EOPC Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylateEthyl N-Boc-4-Oxopyrrolidine-3-carboxylate(EOPC)Ethyl -N-Boc-4-Oxopyrrolidine-3-carboxylateEthyl N-Boc-4-Oxopyrrolidine-3-carboxylate USP/EP/BP

1-O-tert-butyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate1,3-Pyrrolidinedicarboxylic acid 4-oxo-1-(1,1-dimethylethyl) 3-ethyl esterSCHEMBL12244641-(tert-butyl) 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylateCWRFSVAKVCSOPI-UHFFFAOYSA-NCS-D09324-Oxopyrrolidine-1,3-dicarboxylic Acid 1-tert-Butyl 3-Ethyl EsterAKOS005137942

데이터베이스 식별자

CAS: 146256-98-6
PubChem CID: 10868942
DTXSID: DTXSID50446535
EC Number: 808-003-6
Nikkaji: J1.337.496A

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 358

물리화학적 성질

녹는점: 54 to · 54.0 to 59.0 °C
끓는 점: 120 °C/0.4mmHg · 120°C/0.4mmHg(lit.)
밀도: 1.182 · 1.182
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: powder to crystal
산도 계수 (pKa): 11.19 · 11.19±0.20(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey: CWRFSVAKVCSOPI-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(=O)C(C(OCC)=O)C1

화학적 성질

White to slightly yellow crystalline powd

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 29339900
risk_code: 36/38
safety_code: 36
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-Hydroxy-1,3-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 3-ethyl ester

공급사50 곳

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]

上海策嵘生物科技有限公司[email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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