CAS 67467-96-3 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal (HCID 228989)

基本情報

CAS: 67467-96-3
標準SMILES: CCC(C)(C)c1ccc(CC(C)C=O)cc1
InChIKey: YEDZFQXXPSYBGE-UHFFFAOYSA-N
分子式: C15H22O
平均分子量: 218.33 g/mol
単同位体質量: 218.16706532

名称と識別子

優先名称: 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
IUPAC: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
英語名: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
分子式: C15H22O
分子量: 218.33

名称と別名

67467-96-32-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal4-(1,1-Dimethylpropyl)-a-methyl-benzenepropanal2-methyl-3-(4-(tert-pentyl)phenyl)propanal3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropionaldehyde; NSC 22277NSC22277Amorolfine Impurity N1Amorolfine Impurity 29SCHEMBL4447719DTXSID40281634YEDZFQXXPSYBGE-UHFFFAOYSA-NNSC-22277

名称をさらに表示

Amorolfine Impurity 133-(4-tert-pentylphenyl)-2-methylpropanal4-(1,1-Dimethylpropyl)-α-methylbenzenepropanal4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanalBenzenepropanal, 4-(1,1-dimethylpropyl)-α-methyl-4-(1,1-Dimethylpropyl)-alpha-methyl-benzenepropanal3-[4-(1,1-dimethyl-propyl)-phenyl]-2-methyl-propionaldehyde

DA-251023-(p-tert.amyl-phenyl)-2-methyl-propionaldehyde3-(p-tert.-amyl-phenyl)-2-methyl-propionaldehyde

データベース識別子

CAS: 67467-96-3
PubChem CID: 228989
DTXSID: DTXSID40281634

物性

構造計算による物性

XLogP: 4.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 211

物理化学的性質

貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 油
色: 無色～淡黄色
安定性: 空気に敏感

化学と産業

応用分野 · 1 件

使用4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanal is an intermediate in the synthesis of trans-Amorolfine (A634165). trans-Amorolfine is an analog / impurity of Amorolfine (A634170, HCl); a morpholine antifungal drug and topical solution for the treatment of toenail infections.