6336-53-4

Basic information

• Product Name: 4,7-DIOXO-7-PHENYLHEPTANOIC ACID
• Synonyms: 4,7-DIOXO-7-PHENYLHEPTANOIC ACID;gamma,.zeta.-dioxobenzeneheptanoic acid;γ,ζ-Dioxobenzeneheptanoic acid;Benzeneheptanoic acid, gamma, zeta-dioxo-;Einecs 228-719-7
• CAS NO: 6336-53-4
• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25
• EINECS: 228-719-7
• Mol File: 6336-53-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 113-114 °C(Solv: water (7732-18-5))
• Boiling Point: 447.8±25.0 °C(Predicted)
• Appearance: /
• Density: 1.199±0.06 g/cm3(Predicted)
• PKA: 4.67±0.17(Predicted)
• CAS DataBase Reference: 4,7-DIOXO-7-PHENYLHEPTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,7-DIOXO-7-PHENYLHEPTANOIC ACID(6336-53-4)
• EPA Substance Registry System: 4,7-DIOXO-7-PHENYLHEPTANOIC ACID(6336-53-4)

Safety Data

• Hazardous Substances Data: 6336-53-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 85, p. 2937, 1963 DOI: 10.1021/ja00902a017

Upstream product

• 7647-01-0 hydrogenchloride 
• 717-21-5 3-(furan-1-yl)-1-phenyl-prop-2-en-1-one 
• 64-17-5 ethanol 
• 3465-40-5 3-(5-phenyl-furan-2-yl)-propionic acid butyl ester 

Downstream Products

• 98017-69-7 4,7-Dihydroxy-7-phenyl-heptansaeure-lacton 
• 1601-28-1 3-(1-(4-acetylphenyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid 
• 905286-38-6 3-(6-phenyl-3-pyridazinyl)propanoic acid 
• 79720-70-0 3-(5-phenyl-pyrrol-2-yl)-propionic acid 
• 855183-85-6 [2-(5-phenyl-[2]thienyl)-ethyl]-carbamic acid methyl ester 
• 855183-97-0 [2-(5-phenyl-[2]furyl)-ethyl]-carbamic acid methyl ester 
• 858273-17-3 3-(1-methyl-5-phenyl-pyrrol-2-yl)-propionic acid methyl ester 
• 858797-24-7 3-(5-phenyl-[2]furyl)-propionic acid hydrazide 
• 42923-71-7 3-(5-phenyl-[2]furyl)-propionic acid ethyl ester 
• 952006-48-3 3-(5-phenyl-[2]thienyl)-propionic acid methyl ester 
• 62403-66-1 2-(5-phenyl-[2]thienyl)-ethylamine 
• 685897-80-7 2-(5-phenyl-[2]furyl)-ethylamine 
• 101893-52-1 [5-(2,4-dinitro-phenylhydrazono)-2-phenyl-cyclopent-1-enyl]-acetic acid 
• 42882-19-9 (5-oxo-2-phenyl-cyclopent-1-enyl)-acetic acid 

Relevant articles and documents

Synthesis, characterization and crystal structure of 4,7-dioxo-7- phenylheptanoic acid

4,7-Dioxo-7-phenylheptanoic acid was synthesized from acetophenone and furfural. Firstly, acetophenone reacted with furfural in the presence of sodium hydroxide at room temperature, then the product of the first step was transformed into 4,7-dioxo-7-phenylheptanoic by the process of hydrolyzation by using acetic acid and hydrochloric acid. The product was characterized by 1H NMR and LC-MS. The crystal structure of compound 1 was investigated using X-ray diffraction and SHELXTL-97 software and it was first reported here. The result indicated that compound 1 crystallized in the monoclinic system, space group P2(1)/c with a = 5.3007 (14), b = 28.405 (8), c = 7.679(2) ?, V = 1130.4 (5) ?3; Z 4.