590444

4-氯苯甲酰乙酸甲酯

• 同義詞: (p-Chlorobenzoyl)acetic acid methyl ester, Methyl 3-(4-chlorophenyl)-3-oxopropionate
• 經驗公式（希爾表示法）: C₁₀H₉ClO₃
• CAS號碼: 22027-53-8
• 分子量：: 212.63
• MDL號碼: MFCD00216520
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24881280
• NACRES: NA.22

屬性

• 形狀: solid
• mp: 42-46 °C (lit.)
• SMILES 字串: COC(=O)CC(=O)c1ccc(Cl)cc1
• InChI: 1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
• InChI 密鑰: OIPOJEDRCKVDJK-UHFFFAOYSA-N

描述

應用

Reactant involved in:

• Oxidative coupling with aminopyridines
• Enantioselective hydrogenation of unprotected β-enamine esters
• Intramolecular cyclization
• Oxidative alkylation of benzylic C-H bonds
• Tandem oxidative coupling and annulation of phenols

安全資訊

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H319
• 防範說明: P305 + P351 + P338
• 危險分類: Eye Irrit. 2
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Gloves