3-メトキシ-2-メチル-1H-ピリジン-4-オン

3-Methoxy-2-methyl-1H-pyridin-4-one

HCID 323424CAS 53603-11-5

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1c(C)[nH]ccc1=O
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
分子式: C7H9NO2
平均分子量: 139.15 g/mol
単同位体質量: 139.06332853

名称と識別子

優先名称: 3-Methoxy-2-methyl-1H-pyridin-4-one
IUPAC: 3-methoxy-2-methyl-1H-pyridin-4-one
現地名: 3-メトキシ-2-メチル-1H-ピリジン-4-オン
英語名: 3-Methoxy-2-methyl-1H-pyridin-4-one
分子式: C7H9NO2
分子量: 139.15

名称と別名

3-Methoxy-2-methyl-1H-pyridin-4-oneRefChem:503067616-282-976015-11-73-methoxy-2-methylpyridin-4(1H)-one53603-11-53-Methoxy-2-methylpyridin-4-ol3-methoxy-2-methyl-pyridin-4-ol3-methoxy-2-methyl-1,4-dihydropyridin-4-oneMFCD030939943-Methoxy-2-methyl-4-pyridinol4(1H)-Pyridinone, 3-methoxy-2-methyl-

名称をさらに表示

3-メトキシ-2-メチル-1H-ピリジン-4-オンPantoprazole Impurity 413-methoxy-2-methyl-4-pyridone3-Methoxy-2-methylpyridin-4(1H)2-Methyl-3-methoxypyridine-4-one2-methyl-3-methoxy-4(1H)-pyridinone3-Methoxy-2-methyl-4(1H)-pyridinone3-methoxy-2-methyl-1H-pyridine-4-one

4-Pyridinol, 3-methoxy-2-methyl-3-Methoxy-2-methyl-4-(1H)-pyridoneNSC2834713-Methoxy-2-methyl-4-pyridinol #AKOS005622485SY0974263-Methoxy-2-methyl-1H-pyridin-4-one, 97%3-Methoxy-2-methyl-4(1H)-pyridone; NSC 283471

データベース識別子

CAS: 53603-11-5、76015-11-7
PubChem CID: 323424
DTXSID: DTXSID00968378
EC Number: 616-282-9
Nikkaji: J109.270G

物性

構造計算による物性

XLogP: 0.7
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 216

物理化学的性質

融点: 156 · 156-160 °C (lit.)
沸点: 252.7 · 252.7±40.0 °C(Predicted)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 11.07 · 11.07±0.69(Predicted)
色: Beige
InChI: 1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
SMILES: COC1=C(C)NC=CC1=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用3-Methoxy-2-methylpyridin-4(1H)-one has been used as a reactant for the synthesis of 4-pyridone nucleoside derivatives as potential antitumor agents.

上流・下流製品情報

上流原料

3-メトキシ-2-メチル-4H-ピラン-4-オンマルトール

下流製品

3,4-ジメトキシ-2-メチルピリジン 3,4-Dimethoxy-2-methylpyridine N-oxide 4-クロロ-3-メトキシ-2-メチルピリジン N-オキシド 5-ブロモ-3-メトキシ-2-メチルピリジン-4-オール

サプライヤー12 社

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