CAS 80841-78-7|4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one|4-(chloromethyl)-5-methyl-2H-1,3-dioxol-2-one|4-(chloromethyl)-5-methyl-1,3-dioxol-2-one|4-(chloromethyl)-5-methyl-2H-1,3-dioxol-2-one|4-Chl...

基本信息

化学结构

分子式

C₅H₅ClO₃

分子量

148.5444

精确质量

147.9927217

电荷

InChI

InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3

InChIKey

QCLFSYYUWPUWQR-UHFFFAOYSA-N

Canonic Smiles

ClCc1oc(=O)oc1C

Isomeric Smiles

o1c(=O)oc(c1C)CCl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.4404067

LogD (pH = 7.4)

1.4404067

Log P

1.4404067

摩尔折射率

32.6779

极化性

12.433123

极化表面积

35.53

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one4-(chloromethyl)-5-methyl-2H-1,3-dioxol-2-one4-Chloromethyl-5-methyl-1,3-dioxol-2-one4-氯甲基-5-甲基-1,3-二氧杂环戊烯-2-酮(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl Chloride4-Chloromethyl-5-methyl-2-oxo-1,3-dioxole4-Chloromethyl-5-methyl-1,3-dioxol-2-one4-Chloromethyl-5-methyl-1,3-dioxol-2-one4-Chloromethyl-5-methyl-2-oxo-1,3-dioxole

IUPAC传统名

4-(chloromethyl)-5-methyl-1,3-dioxol-2-one

IUPAC标准名

4-(chloromethyl)-5-methyl-2H-1,3-dioxol-2-one

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

Beilstein号

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

671975

包装
1, 5 g in glass bottle

TRC

C369335

4-Chloromethyl-5-methyl-1,3-dioxol-2-one is an important reagent in the preparation of angiotensin II receptor antagonist such as Olmesratan Medoxomil (O550000). 4-Chloromethyl-5-methyl-1,3-dioxol-2-one is also used in the preparation of prodrugs of ampic

描述信息

参考文献

PubChem文献

数据源提供

• Ikeda, S. et al.: Chem. Pharmac. Bull., 32, 4316 (1984)

• Wu, T. Yaox. Xueb., 41, 537 (1984)

参考文献

生物活性

PubChem BioAssay

生物活性