Tert-butyl 3-oxopyrrolidine-1-carboxylate (HCID 471360)

이름 및 식별자

우선 이름: Tert-butyl 3-oxopyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-oxopyrrolidine-1-carboxylate
영어명: N-Boc-3-pyrrolidinone
분자식: C9H15NO3
분자량: 185.22

이름 및 동의어

tert-butyl 3-oxopyrrolidine-1-carboxylate3-Oxopyrrolidine-1-carboxylic Acid tert-Butyl EsterRefChem:893465600-204-5N-Boc-3-pyrrolidinone101385-93-71-Boc-3-pyrrolidinone1-N-Boc-3-pyrrolidinoneN-(tert-Butoxycarbonyl)-3-pyrrolidinoneMFCD016311941-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester

이름 더 보기

tert-butyl 2-oxopyrrolidine-1-carboxylateN-Boc-3-pyrroLBOC-3-PYRROLIDINONEN-Boc-3-pyrolidinoneN-BOC-3-Pyrrolodinone

1-tert-Butoxycarbonyl-3-pyrrolidonetert-Butyl 3-oxopyrrolidinecarboxylaten-boc-pyrrolidine-3-oneN-boc-4-pyrollidone1-boc-3-pyrrolidoneN-Boc-3-pyrrolidone1-(tert-butoxycarbonyl)-3-pyrrolidinone1-Boc-3-pyrollidinone

데이터베이스 식별자

CAS: 101385-93-7
PubChem CID: 471360
DTXSID: DTXSID90332887
EC Number: 600-204-5、928-466-9
Nikkaji: J1.671.498D

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 34 · 34-38 °C (lit.)
끓는 점: 270.9 · 270.9±33.0 °C(Predicted)
밀도: 1.133 · 1.133±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
산도 계수 (pKa): -1.79 · -1.79±0.20(Predicted)
물리적 상태: 저융점 고체
색상: 흰색에서 노란색, 주황색으로
수용성: 물에 불용성.
InChI: InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(=O)C1

화학적 성질

Brown Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (81.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (81.1%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 22-37/38-41-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37/39-36
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요N-Boc-3-pyrrolidinone is an organic compound insoluble in water. It is a starting material for the synthesis of spirocyclic tetrahydrofuran and is also used in studies related to the preparation of 5-membered heterocyclic secondary alcohols with carrot as a biocatalyst[1].

용도In the Synthesis and antibacterial evaluation of a novel series of rifabutin-like spirorifamycins 1-Boc-3-pyrrolidinone is used.

상·하류 제품 정보

상류 원료

tert-부틸3-아미노피롤리딘-1-카르복실레이트 1-벤질-3-피롤리디논 (R)-(+)-1-Boc-3-아미노피롤리딘 (R)-(-)-N-Boc-3-피롤리디놀 3-(tert-부톡시카르보닐-에톡시카르보닐메틸-아미노)-프로피온산에틸에스테르 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate N-(tert-부톡시카르보닐)-(S)-(+)-3-피롤리디놀 3-피롤리디놀 (R)-1-Boc-3-히드록시피롤리딘 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

하류 제품

1-BOC-3-CYANO-3-FLUOROPYRROLIDINE 3-메틸-3-피롤리디놀염산염 tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate 1-BOC-2,3-Dihydropyrrole-4-boronic acid, pinacol ester 1-N-Boc-3-시아노피롤리딘 1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol ester 3,3-dimethoxypyrrolidine hydrochloride tert-Butyl 3-hydroxy-3-Methylpyrrolidine-1-carboxylate

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海金易精细化工有限公司021-52801082 13918092929 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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Tert-butyl 3-oxopyrrolidine-1-carboxylate

기본 정보