5457-44-3

Basic information

• Product Name: DIMETHYL 3-OXOADIPATE
• Synonyms: Dimethyl 3-oxohexanedioate;Hexanedioic acid, 3-oxo-, dimethyl ester;3-OXOHEXANEDIOIC ACID DIMETHYL ESTER;BETA-KETOADIPIC ACID DIMETHYL ESTER;DIMETHYL BETA-KETOADIPATE;DIMETHYL 3-OXOADIPATE;3-Oxoadipic acid dimethyl ester;3-ketoadipic acid dimethyl ester
• CAS NO: 5457-44-3
• Molecular Formula: C₈H₁₂O₅
• Molecular Weight: 188.18
• EINECS: 226-716-5
• Mol File: 5457-44-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 271.8°Cat760mmHg
• Flash Point: 107.7°C
• Appearance: /
• Density: 1.175 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.00631mmHg at 25°C
• Refractive Index: n20/D 1.444
• PKA: 10.15±0.46(Predicted)
• CAS DataBase Reference: DIMETHYL 3-OXOADIPATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL 3-OXOADIPATE(5457-44-3)
• EPA Substance Registry System: DIMETHYL 3-OXOADIPATE(5457-44-3)

Safety Data

• Safety Statements: 23-24/25
• Hazardous Substances Data: 5457-44-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 22, p. 848, 1957 DOI: 10.1021/jo01358a620Synthesis, p. 568, 1999

InChI:InChI=1/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 689-31-6 3-oxoadipic acid 
• 67-56-1 methanol 
• 412019-08-0 2-acetyl-3-oxo-adipic acid 1-ethyl-6-methyldiester 
• 105-45-3 acetoacetic acid methyl ester 
• 1490-25-1 succinic acid monomethylester chloride 
• 1119-43-3 (E,E)-hexa-2,4-dienedioic acid dimethyl ester 
• 1070-34-4 butanedioic acid, monoethyl ester 
• 81803-80-7 4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-yl)-4-oxo-butyric acid methyl ester 
• 60-29-7 diethyl ether 
• 412018-94-1 2-acetyl-3-oxo-adipic acid dimethyl ester 
• 7664-41-7 ammonia 
• 3878-55-5 methyl hydrogen succinate 
• 38330-80-2 monomethyl monopotassium malonate 

Downstream Products

• 116195-52-9 1-Benzyl-2-(2-methoxycarbonyl-ethyl)-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester 
• 130187-97-2 3-(1-phenyl-1H-pyrazol-5-yl)propanoic acid 
• 130187-95-0 4-carboxy-1-phenyl-1H-pyrazole-5-propanoic acid 
• 130187-91-6 5-(2-Methoxycarbonyl-ethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester 
• 5451-09-2 5-aminolevulinic acid hydrochloride 
• 857609-28-0 3-oxo-2-phenethyl-adipic acid dimethyl ester 
• 274691-23-5 3-(2-methoxycarbonyl-ethyl)-5-methyl-pyrrole-2,4-dicarboxylic acid-4-benzyl ester-2-methyl ester 
• 60254-71-9 5-chloro-4-oxo-valeric acid 
• 100795-74-2 3-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-propionic acid methyl ester 
• 5472-97-9 3-semicarbazono-adipic acid dimethyl ester 
• 689-31-6 3-oxoadipic acid 
• 4440-68-0 α-hydromuconic acid 
• 105-60-2 caprolactam 
• 111-49-9 hexamethylene imine 

Relevant articles and documents

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Method for producing 3-oxoadipic acid

A method of producing 3-oxoadipic acid from an aliphatic compound easily utilizable by a microorganism, such as a saccharide, by utilization of a metabolic pathway of the microorganism is disclosed. The method of producing 3-oxoadipic acid includes the step of culturing at least one type of microorganism having a capacity to produce 3-oxoadipic acid, selected from the group consisting of, for example, microorganisms belonging to the genus Serratia, microorganisms belonging to the genus Corynebacterium, microorganisms belonging to the genus Hafnia, microorganisms belonging to the genus Bacillus, microorganisms belonging to the genus Escherichia, microorganisms belonging to the genus Pseudomonas, microorganisms belonging to the genus Acinetobacter, microorganisms belonging to the genus Alcaligenes, microorganisms belonging to the genus Shimwellia, microorganisms belonging to the genus Planomicrobium, microorganisms belonging to the genus Nocardioides, microorganisms belonging to the genus Yarrowia, microorganisms belonging to the genus Cupriavidus, microorganisms belonging to the genus Rhodosporidium, microorganisms belonging to the genus Streptomyces, and microorganisms belonging to the genus Microbacterium.

Preparation methods for 5-aminolevulinic acid hydrochloride and 5-aminolevulinic acid hydrochloride intermediate

The invention discloses preparation methods for a 5-aminolevulinic acid hydrochloride and a 5-aminolevulinic acid hydrochloride intermediate. The preparation method for the 5-aminolevulinic acid hydrochloride intermediate comprises: (1) carrying out a reaction on a compound 2 and isopropylidene malonate in an organic solvent under the actions of an organic alkali and a condensing agent to obtain acompound 3; and (2) carrying out a reaction on the compound 3 in a C1-C4 alcohol solvent to obtain a compound 4, wherein R1 and R' are respectively and independently C1-C4 alkyl. The present invention further provides a method for preparing a 5-aminolevulinic acid hydrochloride by using the 5-aminolevulinic acid hydrochloride intermediate. According to the present invention, the intermediate product is basically solid and is easily crystallized and purified; and the method has characteristics of high yield, low production cost and easy operation, and is suitable for industrial production. Thecompounds 1, 2, 3 and 4 are defined in the specification.