기본 정보
- 표준 SMILES
O=C1CCCC(=O)N1- InChIKey
KNCYXPMJDCCGSJ-UHFFFAOYSA-N- 분자식
- C5H7NO2
- 평균 분자량
- 113.11 g/mol
- 단동위원소 질량
- 113.04767846
개요
Piperidine-2,6-dione is a dicarboximide that is piperidine which is substituted by oxo groups at positions 2 and 6. It is a dicarboximide and a member of piperidones.
이름 및 식별자
- 우선 이름
- Glutarimide
- IUPAC
- piperidine-2,6-dione
- 현지명
- 글루타이미드
- 영어명
- Glutarimide
- 분자식
- C5H7NO2
- 분자량
- 113.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1121-89-7- PubChem CID
- 70726
- DTXSID
DTXSID7074452- ChEMBL
CHEMBL3763941- ChEBI
CHEBI:5435- UNII
- MV728O9612
- EC Number
- 214-340-4
- Nikkaji
- J137.949F
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 155 · 155-157 °C (lit.)
- 끓는 점
- 211.82 °C · 211.82°C (rough estimate)
- 밀도
- 1.2416 · 1.2416 (rough estimate)
- 굴절률
- 1.42 · 1.4200 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- soluble in Chloroform, DCM
- 물리적 상태
- 결정 또는 결정질 플레이크
- 산도 계수 (pKa)
- 11.4 · pKa 11.4 (Uncertain)
- 색상
- 하얀색
- 수용성
- 물, 뜨거운 에탄올 및 끓는 벤젠에 용해됩니다. 에테르에 불용성.
- BRN
- 110052 · 110052
- InChI
- InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
- InChIKey
- KNCYXPMJDCCGSJ-UHFFFAOYSA-N
- SMILES
- N1C(=O)CCCC1=O
- EPA
- Glutarimide (1121-89-7)
화학적 성질
white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- MA4000000
- HS 번호
- 29251995
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 37/39-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.
응용 분야
용도Glutarimide acts as an inhibitor of protein synthesis. Further, it is used as a reactant for thionations and biocatalytic asymmetric synthesis of sitagliptin production. It is also employed in the generation of beta-adrenoceptor ligands, enantioselective synthesis of securinega alkaloids and alfa-fluoro-alfa amino amides. In addition to this, it is used in intramolecular amidocyclopropanation reactions.
일반 설명A glutarimide antibiotic, 9-methylstreptimidone, shows antiviral, antitumor and antifungal activities.
제조 방법
To a flask containing 70 gm (0.53 mole) of glutaric acid is added 150 ml (2.2 mole) of 28% aqueous ammonia. The mixture is set for distillation and heated for 7 hr as the temperature of the mixture rises from 90° to 180°C. The temperature is held at 170-180°C for \\ hr or until the evolution of ammonia ceases. The reaction mixture solidifies on cooling and the product is recrystallized from acetone to afford 37.4 gm (63%), m.p. 145-146°C. t may be advantageous to preform the ammonium salt of dicarboxylic acids prior to the application of enough heat to form the imide. The preparation of succinimide is a case in point.
상·하류 제품 정보
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Glutarimide (Piperidine-2,6-dione) is a dicarboximide that is piperidine which is substituted by oxo groups at positions 2 and 6. It is a member of piperidones and a dicarboximide.
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