2-HYDROXY-2-ISOPROPYLSUCCINIC ACID

Base Information

• Chemical Name: 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID
• CAS No.: 3237-44-3
• Molecular Formula: C7H12 O5
• Molecular Weight: 176.169
• Hs Code.: 2918199090
• European Community (EC) Number: 630-924-5
• UNII: A7T9UY4KVU
• DSSTox Substance ID: DTXSID70863129
• Nikkaji Number: J304.910H
• Wikipedia: Isopropylmalic_acid
• Wikidata: Q15426256
• Mol file: 3237-44-3.mol

Synonyms:Malic acid,2-isopropyl- (6CI,7CI,8CI); 2-Hydroxy-2-isopropylsuccinic acid;2-Isopropyl-2-hydroxybutanedioic acid; 2-Isopropylmalic acid;3-Carboxy-3-hydroxyisocaproic acid; a-Isopropylmalate; a-Isopropylmalic acid

Chemical Property of 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID

Chemical Property:

• Vapor Pressure: 7.21E-05mmHg at 25°C
• Melting Point: 144-146 °C(lit.)
• Boiling Point: 306.4°Cat760mmHg
• PKA: 3.57±0.28(Predicted)
• Flash Point: 153.3°C
• PSA: 94.83000
• Density: 1.342g/cm³
• LogP: -0.06720
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 176.06847348
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Isopropylmalic acid 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(CC(=O)O)(C(=O)O)O

Technology Process of 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID

There total 1 articles about 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

parsonsine (72213-98-0) → Intermedin (480-82-0,480-83-1,6029-84-1,6857-00-7,7019-83-2,10285-06-0,10285-07-1,83114-73-2,95462-13-8,96291-81-5,96291-82-6,109363-22-6,115509-99-4,120294-01-1,120294-85-1,26131-12-4) + α-isopropylmalic acid (3237-44-3) + 2,3-dihydroxy-2-(1-methylethyl)butanoic acid (466-18-2)

Guidance literature:

acid hydrolysis;

DOI:10.1016/S0040-4039(00)92832-6

Reference yield:

α-isopropylmalic acid (3237-44-3) → 3-methyl-butan-2-one (563-80-4) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

upstream raw materials:

parsonsine

Downstream raw materials:

3-methyl-butan-2-one

carbon dioxide

Refernces