CAS 1067-74-9 Methyl diethylphosphonoacetate (HCID 66113)

名称と識別子

優先名称: Methyl diethylphosphonoacetate
IUPAC: methyl 2-diethoxyphosphorylacetate
現地名: ジエチルホスホノ酢酸メチル
英語名: Methyl diethylphosphonoacetate
分子式: C7H15O5P
分子量: 210.16

名称と別名

Methyl diethylphosphonoacetate1067-74-9Acetic acid, (diethoxyphosphinyl)-, methyl esterEINECS 213-938-2methyl (diethylphosphono)acetateNSC 147757DTXSID50147732RefChem:817722DTXCID6070223Diethyl methoxycarbonylmethanephosphonate213-938-2methyl 2-(diethoxyphosphoryl)acetate

名称をさらに表示

ジエチルホスホノ酢酸メチル(ジエトキシホスフィニル)酢酸メチル2-(ジエトキシホスフィニル)酢酸メチルメトキシカルボニルメチルホスホン酸ジエチルジエトキシホスフィニル酢酸メチルジエチルホスホノ酢酸メチル, 97%メチル 2-(ジエトキシホスホリル)アセタートPOMEdiethyl methoxycarbonylmethyl phosphonateAPAZ-027LABOTEST-BB LT00452673Mirogabalin Impurity 59Methyl 2-(diethoxyphosphoryl)

methyl 2-diethoxyphosphorylacetateC7H15O5PMethyl (diethoxyphosphoryl)acetateMFCD00009081DiethylmethylphosphonoacetateDiethylphosphonoacetic Acid Methyl Ester(Methoxycarbonylmethyl) diethoxyphosphine oxideMethyl P,P-diethylphosphonoacetate

データベース識別子

CAS: 1067-74-9
PubChem CID: 66113
DTXSID: DTXSID50147732
EC Number: 213-938-2
Nikkaji: J21.052H

物性

構造計算による物性

XLogP: 0.1
極性表面積: 61.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 13
形式電荷: 0
複雑度: 193

物理化学的性質

沸点: 127 · 127-131 °C9 mm Hg(lit.)
比重(密度): 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.433(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: テトラヒドロフランと混和します。
外見: 液体
色: 無色透明～微黄色
BRN: 1782397 · 1782397
InChI: InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3
InChIKey: CTSAXXHOGZNKJR-UHFFFAOYSA-N
SMILES: C(OC)(=O)CP(OCC)(OCC)=O
CAS データベース: 1067 · 1067-74-9(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, phosphono-, p,p-diethyl c-methyl ester(1067-74-9)

化学的性質

化学的特性Clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.9%): 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)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationDiethyl methoxycarbonylmethanephosphonate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

安全データ

F: 10
wgk: 3
hs_code: 29310095
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Methyl diethylphosphonoacetate is used as a reagent in the preparation of allylic fluorides compounds and in regioselective Diels-Alder reactions. It also serves as a reactant in the preparation of substituted thiophenes and furans, which finds application in type 2 diabetes treatment. Further, it acts as a precursor in the synthesis of pyridone alkaloids and immunosuppressive cyclopentanediol derivatives. In addition to this, it is utilized in the modification of botulinum neurotoxin serotype A protease inhibitors.

上流・下流製品情報

上流原料

下流製品

(E)-2-ヘキセン酸メチル Methyl (2E)-3-(2-bromopyridin-3-yl)prop-2-enoate

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化合物ノート

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ジエチルホスホノ酢酸メチル

基本情報