2-メチル-5-ピラジンカルボン酸メチル

2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester

HCID 465065CAS 41110-33-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1cnc(C)cn1
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

名称と識別子

優先名称: 2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
IUPAC: methyl 5-methylpyrazine-2-carboxylate
現地名: 2-メチル-5-ピラジンカルボン酸メチル
英語名: METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE
分子式: C7H8N2O2
分子量: 152.15

名称と別名

41110-33-22-pyrazinecarboxylic acid, 5-methyl-, methyl esterRefChem:483326620-310-5methyl 5-methylpyrazine-2-carboxylateMFCD041169102-Pyrazinecarboxylicacid, 5-methyl-, methyl ester5-methylpyrazine-2-carboxylic acid methyl esterPyrazinecarboxylic acid, 5-methyl-, methyl esterMethyl 5-mehtylpyrazine-2-carboxylateMETHYL5-METHYLPYRAZINE-2-CARBOXYLATE5-Methyl-pyrazine-2-carboxylic acid methyl ester

名称をさらに表示

5-メチルピラジンカルボン酸メチル5-メチルピラジン-2-カルボン酸メチル2-メチル-5-ピラジンカルボン酸メチルメチル 5-メチルピラジン-2-カルボキシラートGlipizide Impurity 455-Methylpyrazinecarboxylic5-Methylpyrazine-2-carboxylate3,5-dimethyl-2-pyrazinecarboxylate2-Methyl-5-(methoxycarbonyl)pyrazineMethyl 5-methyl-2-pyrazinecarboxylateMETHYL-2-METHYL-PYRAZINE-5-CARBOXYLATE5-Methylpyrazinecarboxylic acid methyl ester2-Methyl-5-pyrazinecarboxylic acid methyl ester

Acipimox impurity 20methyl 5-methylpyrazine-CHEMBL115764SCHEMBL1858691DTXSID90332766CRBOSZMVDHYLJE-UHFFFAOYSA-N2-methoxycarbonyl-5-methylpyrazineALBB-027674

データベース識別子

CAS: 41110-33-2
PubChem CID: 465065
DTXSID: DTXSID90332766
ChEMBL: CHEMBL115764
EC Number: 620-310-5
Nikkaji: J419.537J

物性

構造計算による物性

XLogP: 0.2
極性表面積: 52.1 Å²
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: 2
重原子数: 11
形式電荷: 0
複雑度: 149

実験および物理化学的性質

LogP0.17

物理化学的性質

融点: 92 °C · 92 °C
沸点: 234.1 · 234.1±35.0 °C(Predicted)
比重(密度): 1.169 · 1.169±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: ジクロロメタン、メタノール
外見: 個体
酸解離定数(Pka): -0.23 · -0.23±0.10(Predicted)
InChI: InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
InChIKey: CRBOSZMVDHYLJE-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(C)N=C1

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

安全データ

hs_code: 2933998090

化学と産業

応用分野

使用Methyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).