82961-76-0

Basic information

• Product Name: Butanoic acid, 3-oxo-4-(phenylmethoxy)-, methyl ester
• CAS NO: 82961-76-0
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Mol File: 82961-76-0.mol
• Article Data: 16

Chemical Properties

• CAS DataBase Reference: Butanoic acid, 3-oxo-4-(phenylmethoxy)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 3-oxo-4-(phenylmethoxy)-, methyl ester(82961-76-0)
• EPA Substance Registry System: Butanoic acid, 3-oxo-4-(phenylmethoxy)-, methyl ester(82961-76-0)

Safety Data

• Hazardous Substances Data: 82961-76-0(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 82961-71-5 5-(2-Benzyloxy-1-hydroxy-ethylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione 
• 17790-81-7 methyl 4-bromo-3-oxobutanoate 
• 100-51-6 benzyl alcohol 
• 32807-28-6 Methyl 4-chloroacetoacetate 
• 19810-31-2 Benzyloxyacetyl chloride 
• 30379-55-6 benzyloxyacetic acid 

Downstream Products

• 161420-69-5 methyl γ-benzyloxy-α-diazo-β-ketoester 
• 99788-90-6 (E,Z)-4-Benzyloxy-2-methoxymethylen-3-oxobuttersaeure-methylester 
• 415678-68-1 (2,4-dimethyl-3-pentyl) γ-benzyloxyacetoacetate 
• 415678-69-2 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 4-(benzyloxy)-3-oxobutanoate 
• 1187661-61-5 (3aS,5aS,8bR)-8b-benzyl-hexahydro-3,4-dioxa-8a-aza-as-indacen-2-one 
• 119736-16-2 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylic acid ethyl ester 
• 114784-19-9 (R)-Methyl 4-benzyloxy-3-hydroxybutanoate 
• 147849-60-3 Methyl (S)-4-(benzyloxy)-3-hydroxybutanoate 
• 1357289-27-0 C₂₇H₂₅F₂N₃O₅ 
• 1357289-26-9 C₂₇H₂₇F₂N₃O₆ 
• 1357289-24-7 C₂₈H₂₉F₂N₃O₆ 
• 1229006-25-0 methyl 3-(benzyloxy)-5-(2,4-difluorobenzylcarbamoyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate 
• 1246617-67-3 C₁₈H₁₇NO₇ 
• 1357289-10-1 C₂₁H₂₂N₂O₆ 

Relevant articles and documents

Synthesis method of 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid

The invention discloses a synthesis method of 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid. The synthesis method sequentially comprises the following steps: S1, condensing 4-chloroacetoacetate and benzyl alcohol to obtain an intermediate I; S2, condensing the intermediate I with N,N-dimethylformamide dimethyl acetal to obtain an intermediate II; S3, performing ring closing on the intermediate IIand oxalic acid diester to obtain an intermediate III; and S4, decarboxylating the intermediate III in an acidic aqueous solution to obtain a target product. The method has the advantages of simple steps, mild conditions, cheap and easily available raw materials, and reduction of the cost of a target patent medicine.

Method for synthesizing diastereomer impurity in dolutegravir raw material

The invention provides a method for synthesizing a diastereomer impurity in a dolutegravir raw material, which comprises the following steps: 1, carrying out condensation reaction on SM1 serving as araw material and 2,4-difluorobenzylamine to generate a compound I; 2, reacting the compound I with an alkali in a reaction solvent to generate a compound II; 3, hydrolyzing the compound II under an acidic condition to generate a compound III; 4, carrying out acid catalytic reaction on the compound III and R-aminobutanol in a reaction solvent to generate a compound IV; 5, generating a compound V from the compound IV in a reaction solvent under the catalysis of a condensing agent; and 6, demethylating the compound V under the action of an alkali metal salt to generate an impurity VI. The synthetic method of the diastereoisomer impurity in the dolutegravir raw material is simple in process and available in raw material, and the prepared new impurity can provide a reference substance for quality analysis of dolutegravir, so that the quality standard of dolutegravir is improved.

Synthesis method of dolutegravir intermediate, and related substance detection method thereof

The invention discloses a synthesis method of a dolutegravir intermediate, and a related substance detection method thereof. 4-chloroacetoacetic acid methyl ester and phenylcarbinol are adopted as starting materials, and the dolutegravir intermediate i is obtained through four steps of reaction; the reaction conditions are simple, only methylbenzene is used as a solvent in reaction, the raw materials are easy to get, the obtained product is treated and purified through column chromatography, the yield of the product obtained by each step reaches up to 90 percent or above, and the synthesis method is suitable for industrial production; the related substance detection method of the dolutegravir intermediate i adopts high performance liquid chromatography; through testing, the content of thedolutegravir intermediate i related substance is 99.6 percent, the separation degree of each impurity is larger than 3.0, and the separation degree is better.