2-Oxazolidinone

HCID 73949CAS 497-25-6
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基本情報

標準SMILES
O=C1NCCO1
InChIKey
IZXIZTKNFFYFOF-UHFFFAOYSA-N
分子式
C3H5NO2
平均分子量
87.08 g/mol
単同位体質量
87.0320284

概要

Oxazolidin-2-one is an oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2. It has a role as a metabolite. It is a carbamate ester and an oxazolidinone.

名称と識別子

優先名称
2-Oxazolidinone
IUPAC
1,3-oxazolidin-2-one
現地名
2-オキサゾリドン
英語名
2-Oxazolidone
分子式
C3H5NO2
分子量
87.08

名称と別名

2-OxazolidinoneOxazolidin-2-one2-Oxazolidone497-25-61,3-Oxazolidin-2-oneOxazolidoneCHEBI:1237Z4D49W92PPNSC-35382NSC-38240Carbamic acid, (2-hydroxyethyl)-, gamma-lactoneDTXSID2074326
名称をさらに表示
2-オキサゾリドン4,5-ジヒドロオキサゾール-2(3H)-オン2-オキサゾリジノン2-オキサゾリノンオキサゾリジン-2-オン2‐オキサゾリドン1,3-オキサゾリジン-2-オン2-オキサゾリジノン, 99%テトラヒドロオキサゾール-2-オンOxazolidineNSC 353822-Oxazolinone2-OXAZOLIDIONE2-OX2-Oxa
2 oxazolidinone2 OxazolidoneOxazolidin 2 one1,3 Oxazolidin 2 one1,3-oxazolidine-2-oneRefChem:1688681,3 Oxazolidine 2 oneDTXCID4040719

データベース識別子

CAS
497-25-6、51667-26-6
PubChem CID
73949
DTXSID
DTXSID2074326
ChEMBL
CHEMBL1867161
ChEBI
CHEBI:1237
UNII
Z4D49W92PP
EC Number
207-840-9
Nikkaji
J36.850D

物性

構造計算による物性

XLogP
-0.3
極性表面積
38.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
6

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesCrystal structure
Solubility>13.1 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
83 · 83-87 °C(lit.)
沸点
220 °C48 · 220 °C48 mm Hg(lit.)
比重(密度)
1.2736 · 1.2736 (rough estimate)
屈折率
1.494 · 1.4940 (estimate)
闪点
220 °C/48mm · 220°C/48mm
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性off-white to yellow-beige crystals or powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 47.4% (36 of 76) of reports.

Warning

H302 (51.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Oxazolidinone

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazards SummaryA strong eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (497-25-6[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesAcute Tox. 4 (51.3%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
RQ2450000
毒性
TDLo orl-mus: 1000 mg/kg:ETA BCPCA62,168,59
hs_code
29322980
risk_code
22-36-43-40-36/37/38

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

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.

用途と製造

UsesDerivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents. [ChemIDplus]
General Manufacturing Information2-Oxazolidinone: ACTIVE

応用分野

用途有機合成原料。

使用As an oxazole derivative used as an antibiotic, 2-Oxazolidone is also used in the preparation of compounds with antitumor activity and as a metabolite of Furazolidone (F864100).

調製方法

純化方法Crystallise it from *benzene, dichloroethane, CHCl3 or EtOH. It is a cyclic urethane, and as such it is not very stable. [Katritzky et al. J Chem Soc Perkin II 145 1990, Beilstein 27 H 135, 27 II 259, 27 III/IV 2516.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

補足説明

定義ChEBI: An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.

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