2-OXO-1-피롤리딘아세트산메틸에스테르

Methyl 2-oxo-1-pyrrolidineacetate

HCID 108835CAS 59776-88-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)CN1CCCC1=O
InChIKey: HPDZYDTXCOFUOY-UHFFFAOYSA-N
분자식: C7H11NO3
평균 분자량: 157.17 g/mol
단동위원소 질량: 157.07389321

이름 및 식별자

우선 이름: Methyl 2-oxo-1-pyrrolidineacetate
IUPAC: methyl 2-(2-oxopyrrolidin-1-yl)acetate
현지명: 2-OXO-1-피롤리딘아세트산메틸에스테르
영어명: 2-Oxo-1-pyrrolidineacetic acid methyl ester
분자식: C7H11NO3
분자량: 157.17

이름 및 동의어

59776-88-4Methyl 2-oxo-1-pyrrolidineacetateMethyl 2-oxopyrrolidin-1-acetateK6WYK3EP9JEINECS 261-926-0EC 261-926-01-(METHOXYCARBONYLMETHYL)-2-PYRROLIDONE2-KETOPYRROLIDINE-1-ACETIC ACID METHYL ESTERRefChem:814577261-926-0methyl 2-(2-oxopyrrolidin-1-yl)acetatePiracetam EP Impurity B

이름 더 보기

2-OXO-1-피롤리딘아세트산메틸에스테르Piracetam Impurity BPiracetam Impuirty BPiracetam Impurity 2LABOTEST-BB LT00233235Methyl-2-Oxo-PyrrolidineacetateMethyl 2-pyrrolidinon-1-ylacetate

2-Oxo-1-pyrrolidineacetic acid methyl esterMFCD00003198methyl (2-oxopyrrolidin-1-yl)acetate1-Pyrrolidineacetic acid, 2-oxo-, methyl esterMethyl 2-oxo-1-pyrrolidine acetatemethyl 2-(2-oxopyrrolidinyl)acetateMethyl (2-oxo-1-pyrrolidinyl)acetate #Methyl 2-oxo-1-pyrrolidineacetate, 96%

데이터베이스 식별자

CAS: 59776-88-4
PubChem CID: 108835
DTXSID: DTXSID80975186
ChEMBL: CHEMBL4546205
UNII: K6WYK3EP9J
EC Number: 261-926-0
Nikkaji: J208.827D

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 144 · 144-148℃ (16 Torr)
밀도: 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): -1.01 · -1.01±0.20(Predicted)
색상: 무색
InChI: 1S/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3
InChIKey: HPDZYDTXCOFUOY-UHFFFAOYSA-N
SMILES: COC(=O)CN1CCCC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 31-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6445

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

안전 데이터

wgk: 3
HS 번호: 2933.79.8500
risk_code: 36/37/38-41-37/38-22
hazard_code: Xn
safety_code: 26-36-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Methyl 2-Oxo-1-pyrrolidineacetate is used a reagent in the synthesis of benzoquinolizidine and benzoindolizidine derivatives as anti-amnesic agents. It is also used as a a reagent in the synthesis of (acylamino)acridines as choline uptake enhancers.