4-メトキシアセト酢酸メチル

Methyl 4-methoxyacetoacetate

HCID 123500

基本情報

CAS
41051-15-4
標準SMILES
COCC(=O)CC(=O)OC
InChIKey
QGBPKJFJAVDUNC-UHFFFAOYSA-N
分子式
C6H10O4
平均分子量
146.14 g/mol
単同位体質量
146.0579088

名称と識別子

優先名称
Methyl 4-methoxyacetoacetate
IUPAC
methyl 4-methoxy-3-oxobutanoate
現地名
4-メトキシアセト酢酸メチル
英語名
Methyl 4-methoxyacetoacetate
分子式
C6H10O4
分子量
146.14

名称と別名

Methyl 4-methoxyacetoacetate41051-15-4Butanoic acid, 4-methoxy-3-oxo-, methyl esterMethyl 4-methoxy-3-oxobutyrateEINECS 255-188-9DTXSID1068273RefChem:816503DTXCID5039854255-188-9Methyl 4-methoxy-3-oxobutanoateMFCD00010183Methyl methoxyacetoacetate
名称をさらに表示
4-メトキシアセト酢酸メチル3-オキソ-4-メトキシブタン酸メチル3-オキソ-4-メトキシ酪酸メチル4-メトキシ-3-オキソ酪酸メチル4-メトキシ-3-オキソブタン酸メチル4-メトキシアセト酢酸メチルエステル4メトキシアセト酢酸メチル4-メトキシアセトキシ酢酸メチル4‐メトキシアセト酢酸メチル4-MethoxyacetoacetateMethyl4-methoxyacetateMethyl 4-methoxy-3-oxobuMethyl 4-MethoxyacetoacetatDolutegravir Intermediates2METHYL 4-METHOXYACETOXYACETATEMethyl 3-oxo-4-methoxybutyrate
4-Methoxyacetoacetic Acid Methyl EsterMethyl 4-methoxy-3-oxo-butanoatemethyl-4-methoxyacetoacetate4-methoxy-3-oxo-butyric acid methyl ester4-methoxy-3-oxobutanoic acid methyl estermethyl 4-methoxy-acetoacetateSCHEMBL126506methyl gamma-methoxyacetoacetate

データベース識別子

CAS
41051-15-4
PubChem CID
123500
DTXSID
DTXSID1068273
EC Number
255-188-9
Nikkaji
J256.618D

物性

構造計算による物性

XLogP
-0.1
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
5
重原子数
10

物理化学的性質

融点
-80 ℃ · -80℃
沸点
89 °C/8.5 · 89 °C/8.5 mmHg (lit.)
比重(密度)
1.129 g/mL · 1.129 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.431(lit.)
闪点
193 °F · 193 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (96.4%): 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 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Butanoic acid, 4-methoxy-3-oxo-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)

安全データ

F
10
wgk
3
tsca
TSCA listed
hs_code
29189900
risk_code
36/37/38
消防法
危-4-3-III

化学と産業

用途と製造

General Manufacturing InformationButanoic acid, 4-methoxy-3-oxo-, methyl ester: INACTIVE

応用分野

使用Methyl 4-Methoxyacetoacetate is a reactant in the formation of an abiotic poorphyrinogen in aqueous solution.

調製方法 · 1 件

製造方法The preparation method of a 4-methoxyl group methyl acetoacetate: add solvents tetrahydrofurane in a kettle. and pass into rare gas element, the temperature in the kettle arranging reactor is 15-25℃, industrial sodium hydride and metal alkaline compound is added under whipped state, add solvents tetrahydrofurane again, the mixed solution reaction 4-6h of methyl alcohol and 4-chloro methyl acetoacetate is dripped in less than 20℃, then be warming up to 20-25℃ and continue reaction 4-15h, TLC detection reaction is complete, reduce system temperature to 6-10℃, add the hydrochloric acid soln regulation system pH=5-7 that volumetric molar concentration is 2mol/L, stratification, after separatory, upper strata is concentrated is spin-dried for removing solvents tetrahydrofurane, then colorless product 4-methoxyl group methyl acetoacetate is obtained by wiped film molecular distillation.

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
衢州信诺医药科技有限公司0570-3856196 13615701454 · [email protected]

関連反応

170 件

化合物ノート

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