CAS 683-08-9|diethyl methylphosphonate|Diethylmethylphosphonate|diethyl methylphosphonate|双(二乙氧基氧膦基)甲烷|甲基膦酸二乙酯|Diethyl methylphosphonate|Diethoxymethylphosphine oxide|DEMP|Bis(dieth...

基本信息

化学结构

分子式

C₅H₁₃O₃P

分子量

152.128681

精确质量

152.06023091

电荷

InChI

InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3

InChIKey

NYYLZXREFNYPKB-UHFFFAOYSA-N

Canonic Smiles

CCOP(=O)(OCC)C

Isomeric Smiles

P(=O)(OCC)(OCC)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

0.58740515

LogD (pH = 7.4)

0.58740515

Log P

0.58740515

摩尔折射率

35.6398

极化性

14.680639

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

IUPAC传统名

diethyl methylphosphonate

IUPAC标准名

diethyl methylphosphonate

别名

DiethylmethylphosphonateDEMPDiethoxymethylphosphine oxide双(二乙氧基氧膦基)甲烷甲基膦酸二乙酯Diethyl methylphosphonateBis(diethoxyphosphinyl)methane甲基磷酸二乙酯Diethyl methanephosphonateMethylphosphonic acid diethyl esterDiethyl methylphosphonate

名称和标识

数据登录号

MDL号

MFCD00009813

PubChem CID

12685

PubChem SID

1620398542488320824856263

CAS号

683-08-9

Beilstein号

1753416

EC号

211-667-4

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

268119

包装
5, 25 g in glass bottle
Application
Reactant for the synthesis of:
• Fluoroalkyl α- and β-aminophosphonates1
• Acyclic nucleoside phosphonates with branched phosphonoethoxy-Et chains as potential antivirals2
• Difluoromethyl arylphosphonates3
• Pyridone alkaloids with neuritogenic activity4
• Lipophilic meropenem-derived prodrugs5
• Phomactin cyclohexane core and diterpenoid framework6
• Phosphonylated peptides via solid-phase synthesis7
用于合成 α-烯基、γ-羟基和二烷基氟代炔基膦酸酯的试剂。

64261

Application
Reactant for the synthesis of:
• Fluoroalkyl α- and β-aminophosphonates1
• Acyclic nucleoside phosphonates with branched phosphonoethoxy-Et chains as potential antivirals2
• Difluoromethyl arylphosphonates3
• Pyridone alkaloids with neuritogenic activity4
• Lipophilic meropenem-derived prodrugs5
• Phomactin cyclohexane core and diterpenoid framework6
• Phosphonylated peptides via solid-phase synthesis7

描述信息

参考文献

PubChem文献

数据源提供

• Dialkylation has been used in the synthesis of cyclobutanephosphonates which are intermediates in the synthesis of 3-phosphonocyclobutyl amino acids: J. Chem. Soc., Perkin 1, 493 (1997).

• For synthetic applications of the lithio-derivatives of esters of methanephosphonic acid, see Dimethyl methylphosphonate, A14268.

• Reaction of the lithio-derivative with dialkyl cyanamides gives, instead of the expected 2-phosphorylacetamide, a rearranged N-phosphorylated amidine: Chem. Commun., 609 (1998):

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

diethyl methylphosphonate

IUPAC标准名

diethyl methylphosphonate

别名

数据登录号

MDL号

MFCD00009813

PubChem CID

12685

PubChem SID

1620398542488320824856263

CAS号

Beilstein号

EC号

描述信息

268119

64261

参考文献

PubChem文献

数据源提供

• Dialkylation has been used in the synthesis of cyclobutanephosphonates which are intermediates in the synthesis of 3-phosphonocyclobutyl amino acids: J. Chem. Soc., Perkin 1, 493 (1997).

• For synthetic applications of the lithio-derivatives of esters of methanephosphonic acid, see Dimethyl methylphosphonate, A14268.

• Reaction of the lithio-derivative with dialkyl cyanamides gives, instead of the expected 2-phosphorylacetamide, a rearranged N-phosphorylated amidine: Chem. Commun., 609 (1998):

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:74936