Methyl pyruvate (HCID 11748)

概要

Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a methyl ester and a pyruvate ester. It is functionally related to a pyruvic acid.

名称と識別子

優先名称: Methyl pyruvate
IUPAC: methyl 2-oxopropanoate
現地名: ピルビン酸メチル
英語名: Methyl pyruvate
分子式: C4H6O3
分子量: 102.09

名称と別名

METHYL PYRUVATE600-22-6Methyl 2-oxopropanoateMethyl 2-oxopropionatePyruvic acid, methyl esterPropanoic acid, 2-oxo-, methyl esterMethylglyoxylic acid methyl ester2-oxo-propionic acid methyl ester3KJM65G5XLNSC-65430CHEBI:51850RefChem:818068

名称をさらに表示

ピルビン酸メチル2-オキソプロパン酸メチルtrans-ピルビン酸メチルcis-ピルビン酸メチル2-オキソプロピオン酸メチルピルビン酸メチル, 98%メチル 2-オキソプロパノアートPAMEMethyl acetoformateksbyPYR MEMethyl pyruyateMethylPyruvate>Methylpyruvate,96%

209-987-4MethylpyruvatePyruvic acid methyl estermethyl-PyruvateDTXSID9049326MFCD000087542-oxopropanoic acid methyl esterUNII-3KJM65G5XL

データベース識別子

CAS: 600-22-6
PubChem CID: 11748
DTXSID: DTXSID9049326
ChEMBL: CHEMBL3185405
ChEBI: CHEBI:51850
UNII: 3KJM65G5XL
EC Number: 209-987-4
Nikkaji: J483I

物性

構造計算による物性

XLogP: 0
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 95.1

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: -22 °C · -22 °C
沸点: 134 · 134-137 °C (lit.)
比重(密度): 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.404(lit.)
闪点: 103 °F · 103 °F
貯蔵温度: 2 · 2-8°C
溶解性: 1.1 g/10mL · エタノール：可溶1.1g/10mL 無色透明～ほぼ無色透明
外見: 液体
色: 黄ばみ
水溶解度: クロロホルム、メタノール、エーテル、アルコールに可溶。水にわずかに溶ける。
Merck: 14 · 14,8021
BRN: 1361953 · 1361953
InChI: 1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
InChIKey: CWKLZLBVOJRSOM-UHFFFAOYSA-N
SMILES: COC(=O)C(C)=O
LogP: -0.159 · -0.159 (est)
CAS データベース: 600 · 600-22-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Propanoic acid, 2-oxo-, methyl ester(600-22-6)

化学的性質

化学的特性Methyl pyruvate is a clear, light yellow, and flammable liquid.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (92.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Propanoic acid, 2-oxo-, methyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 13-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18742

Propanoic acid, 2-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.3%)

安全データ

F: 10-21
wgk: 3
ridadr: UN 3272 3/PG 3
hs_code: 29183000
risk_code: 10
化審法: (2)-1505
消防法: 危-4-2-III
hazard_code: Xi,F
safety_code: 23-24/25-16
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Methyl Pyruvate acts as a potent secretagogue used in the study of stimulus-secretion coupling. Also used in the preparation of quinoxalines as dual phoosphodiesterase 2/10 (PDE2/10) inhibitors. It increases free calcium ion concentration in the cytosol of pancreatic cells. It is used in the preparation of dimethyl 2,3-dimethylenebutanedioate.

一般的な説明Methyl pyruvate is a pyruvic ester. Surface conditions during Pt/silica EUROPT-1 modified by cinchonidine catalyzed by enantioselective hydrogenation of methyl pyruvate to R-(+)-methyl lactate were investigated. Enantioselective hydrogenation of methyl pyruvate over finely dispersed polyvinylpyrrolidone-stabilized and the corresponding alumina-supported iridium clusters modified with cinchonidine was studied. The molecular orientation and conformation of methyl pyruvate on Ni(111) surface has been investigated in the temperature range 105-220K. Methyl pyruvate is reported to stimulate insulin secretion in vitro and in vivo.

上流・下流製品情報

上流原料

下流製品

3-ブロモ-2-オキソプロピオン酸メチル乳酸メチル 2,2-ジメトキシプロピオン酸メチル 2-ヒドロキシ-2-(6-メトキシ-2-ナフチル)プロパン酸メチル

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北瑞泰医药科技有限公司15335880183

補足説明

定義ChEBI: Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a pyruvate ester and a methyl ester. It derives from a pyruvic acid.

ピルビン酸メチル

基本情報

概要