酢酸4-オキソアゼチジン-2-イル

4-Acetoxy-2-azetidinone

HCID 119981CAS 28562-53-0

基本情報

標準SMILES
CC(=O)OC1CC(=O)N1
InChIKey
OEYMQQDJCUHKQS-UHFFFAOYSA-N
分子式
C5H7NO3
平均分子量
129.11 g/mol
単同位体質量
129.04259309

名称と識別子

優先名称
4-Acetoxy-2-azetidinone
IUPAC
(4-oxoazetidin-2-yl) acetate
現地名
酢酸4-オキソアゼチジン-2-イル
英語名
4-Acetoxy-2-azetidinone
分子式
C5H7NO3
分子量
129.11

名称と別名

4-Acetoxy-2-azetidinone28562-53-02-Oxoazetidinium 4-acetateRefChem:477770249-083-74-oxoazetidin-2-yl acetate2-Azetidinone, 4-(acetyloxy)-(4-oxoazetidin-2-yl) acetateMFCD000105934-acetoxyazetidinone4-acetoxyazetidin-2-one4-Oxo-2-azetidinyl acetate
名称をさらに表示
酢酸2-オキソアゼチジン-4-イル4-アセチルオキシアゼチジン-2-オン4-アセトキシアゼチジン-2-オン酢酸4-オキソアゼチジン-2-イル酢酸4-オキソ-2-アゼチジニル4-アセトキシ-2-アゼチジノン4-オキソアゼチジン-2-イル アセタート3-Acetoxy-3-propanelactam4-Acetyloxyazetidin-2-one4-OXOAZETIDIN-2-YLACETATE4-ACETOXY-2-AZETIDINONE(4-AA)4-Acetoxy-2-azetidinone - [A15221]Acetic acid 4-oxo-2-azetidinyl ester
4-Hydroxy-2,3-dihydroazet-2-yl acetateEINECS 249-083-74-acetoxy-azetidinone4-acetoxyazetidine-2-one4-Oxo-2-azetidinyl acetate #CHEMBL122408SCHEMBL1220023SCHEMBL5405424

データベース識別子

CAS
28562-53-0
PubChem CID
119981
ChEMBL
CHEMBL122408
EC Number
249-083-7
Nikkaji
J250.737D

物性

構造計算による物性

XLogP
-0.3
極性表面積
55.4 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
9

物理化学的性質

融点
38 · 38-40 °C (lit.)
沸点
239.15 °C · 239.15°C (rough estimate)
比重(密度)
1.3816 · 1.3816 (rough estimate)
屈折率
1.422 · 1.4220 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%);Resp. Sens. 1 (97.6%)

安全データ

wgk
3
ridadr
UN 1759 8/PG 2
risk_code
34-43
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
8

化学と産業

応用分野

使用4-Acetoxy-2-azetidinone was used in the synthesis of derivatized cyclopentenes in high regio- and diastereoselectivity. It was also used as a heterocyclic synthon for antibiotic and anti-inflammatory agents.

調製方法 · 1 件

純化方法Dissolve it in CHCl3, dry (MgSO4) concentrate at 40o/70mm, or better at room temperature to avoid decomposition. Wash and stir the residual oil with hexane by decantation and discard the wash. Dry the oil at high vacuum when it should solidify, m 34o. It can be distilled at high vacuum, 80-82o/10-3mm, but this results in extensive losses. The purity can be checked by TLC using Merck Silica Gel F254 and eluting with EtOAc. The azetidinone has RF 0.38 (typical impurities have RF 0.67). The spots can be detected by the TDM spray. This is prepared from (A) 2.5g 4,4'-tetramethyldiaminodiphenylmethane (TDM) in 10mL AcOH and diluted with 50mL of H2O, (B) 5g KI in 100mL of H2O and (C) 0.3g ninhydrin in 10mL of AcOH and 90mL of H2O. The spray is prepared by mixing (A) and (B) with 1.5mL of (C) and stored in a brown bottle. [Clau et al. Justus Liebigs Ann Chem 539 1974, Michel et al. Org Synth 65 135 1987, Beilstein 21/12 V 4.]

サプライヤー50 社

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

関連反応

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