3058-01-3

Basic information

• Product Name: 3-Methyladipic acid
• Synonyms: 3-METHYLADIPIC ACID;3-METHYLHEXANEDIOIC ACID;3-METHYLADIPIC ACID 99%;3-methylhexanedioate;3-Methyladipic acid,99%
• CAS NO: 3058-01-3
• Molecular Formula: C₇H₁₂O₄
• Molecular Weight: 160.17
• EINECS: 221-293-3
• Product Categories: API intermediates
• Mol File: 3058-01-3.mol

Chemical Properties

• Melting Point: 100-102 °C(lit.)
• Boiling Point: 230 °C30 mm Hg(lit.)
• Flash Point: 171 °C
• Appearance: /
• Density: 1.197
• Vapor Pressure: 1.47E-05mmHg at 25°C
• Refractive Index: 1.4336 (estimate)
• PKA: 4.66±0.10(Predicted)
• Water Solubility: 198.7g/L(25.9 oC)
• CAS DataBase Reference: 3-Methyladipic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyladipic acid(3058-01-3)
• EPA Substance Registry System: 3-Methyladipic acid(3058-01-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• Hazardous Substances Data: 3058-01-3(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
3-Methyladipic acid is used as a building block for the synthesis of various chemical compounds, such as polymers, pharmaceuticals, and other specialty chemicals. Its unique structure allows for the creation of novel materials with specific properties tailored for different applications.
Used in Polymer Industry:
3-Methyladipic acid is used as a monomer for the production of polymers with enhanced properties, such as improved mechanical strength, thermal stability, and chemical resistance. These polymers can be utilized in a wide range of applications, including automotive, electronics, and packaging industries.
Used in Pharmaceutical Industry:
3-Methyladipic acid is used as an intermediate in the synthesis of various pharmaceutical compounds, contributing to the development of new drugs with potential therapeutic benefits. Its unique chemical structure enables the creation of molecules with specific biological activities, targeting various medical conditions.
Used in Coatings and Adhesives:
3-Methyladipic acid is used as a component in the formulation of coatings and adhesives, providing improved adhesion, durability, and resistance to environmental factors. These coatings and adhesives can be applied in various industries, such as construction, automotive, and aerospace, to enhance the performance and longevity of materials.
Used in Lubricants and Additives:
3-Methyladipic acid is used in the development of lubricants and additives for the automotive, industrial, and marine sectors. Its incorporation into these products can lead to enhanced performance, reduced wear and tear, and improved fuel efficiency, contributing to the overall efficiency and sustainability of various industries.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 1488, 1975 DOI: 10.1021/jo00898a024

InChI:InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/p-2/t5-/m0/s1

Upstream product

• 106-22-9 Citronellol 
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• 1117-61-9 (3R)-citronellol 
• 18951-85-4 (R)-citronellic acid 
• 31659-59-3 (2Z,4E)-3-methyl-2,4-hexadienedioic acid 
• 116672-65-2 3-methyl-hexa-2t,4t-dienedioic acid 
• 77456-36-1 4-methyl-6-oxo-hexanoic acid 
• 27126-42-7 ethyl 4-bromopentanoate 
• 996-82-7 sodium diethylmalonate 
• 20966-46-5 3-methyl-7-oxo-octanoic acid 
• 116535-47-8 (E)-3-methyl-3-hexene-1,6-dioic acid 
• 855910-48-4 3-hydroxy-3-methyl-adipic acid 
• 101654-52-8 2-methyl-butane-1,1,4-tricarboxylic acid 

Downstream Products

• 54576-13-5 dimethyl 3-methylhexanedioate 
• 67-64-1 acetone 
• 1757-42-2 3-methyl-cyclopentanone 
• 44987-62-4 3-methyl-hexanedioyl dichloride 
• 1541-33-9 3-methyl-1,5-hexadiene 
• 108-29-2 5-methyl-dihydro-furan-2-one 
• 4089-71-8 (R,S)-3-methyl-1,6-hexanediol 
• 159157-21-8 (R,S)-1,6-di(benzoyloxy)-4,4'-di(benzyloxycarbonyl)-3-methylhexane 
• 67188-78-7 (+/-)-1-Methyl-cyclopentanon-(3)-semicarbazon 
• 170277-73-3 3-methyl-1,6-diphenyl-hexane-1,6-dione 
• 55520-93-9 C₁₃H₂₈O₄Si₂ 
• 1452392-61-8 4-N-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine 
• 1204408-22-9 2-amino-N-(4-methoxyphenyl)-N,6-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-aminium chloride 
• 1204408-21-8 4-N-(4-methoxyphenyl)-4-N,6-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine 

Relevant articles and documents

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Ozonolysis of isomeric methylcyclohexanols and methylcyclohexanones was studied.

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Sustainable electroorganic synthesis of lignin-derived dicarboxylic acids

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OXIDATIVE CLEAVAGE OF OLEFINS, EPOXIDES AND ALCOHOLS

Provided is a process for producing a compound I comprising at least one functional group chosen in the group consisting of epoxy group, hydroxyl group and carbonyl group and by reacting a compound J comprising at least one functional group chosen in the group consisting of alkenyl group, epoxy group and hydroxyl group with an an oxidant in the presence of solid amphiphilic catalytic particles A and solid amphiphilic catalytic particles B.

Colloidal tectonics for tandem synergistic Pickering interfacial catalysis: Oxidative cleavage of cyclohexene oxide into adipic acid

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PRODUCTION OF ADIPIC ACID AND DERIVATIVES THEREOF

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Complexation of tetrakis(acetato)chloridodiruthenium with naphthyridine-2,7-dicarboxylate - Characterization and catalytic activity

The reaction of calcium naphthyridine-2,7-dicarboxylate (Cadcnp) with Ru2(OAc)4Cl in water resulted in the formation of Ca[Ru2(dcnp)(OAc)3]2 (3). X-ray crystal structural analysis of 3 confirmed its molecular structure and showed that the calcium ion binds to the lateral carboxylate groups of four neighboring anionic units of [Ru2(dcnp)(μ-OAc)3] and two acetone molecules to form a two-dimensional framework. The RuII-RuII valence state of the diruthenium core was supported by superconducting quantum interference device (SQUID) magnetometry [μeff (300 K) = 2.77 μB]. Complex 3 appears to be an efficient catalyst for the oxidative cleavage of olefins in aqueous media under mild conditions. Typically, the reaction of pulegone with NaIO4 in water catalyzed by 3 (1 mol-%) at 45 C afforded 3-methyladipic acid quantitatively. The reaction of calcium naphthyridine-2,7-dicarboxylate (Cadcnp) with Ru2(OAc)4Cl provides Ca[Ru2(dcnp)(OAc)3]2 as the exclusive product. The complex is catalytically active for the oxidative cleavage of olefins in aqueous media.

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