2-Isopropyl-3-methylbutanoic acid

Base Information

• Chemical Name: 2-Isopropyl-3-methylbutanoic acid
• CAS No.: 32118-53-9
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.214
• Hs Code.: 2915900090
• European Community (EC) Number: 868-636-9
• NSC Number: 89795
• UNII: 0B9URE7Y2Q
• DSSTox Substance ID: DTXSID60185908
• Nikkaji Number: J1.427.097C
• Wikidata: Q83057066
• Mol file: 32118-53-9.mol

Synonyms:32118-53-9;2-isopropyl-3-methylbutanoic acid;3-methyl-2-propan-2-ylbutanoic acid;Butanoic acid, 3-methyl-2-(1-methylethyl)-;Diisopropylacetic acid;3-methyl-2-(propan-2-yl)butanoic acid;2-Isopropyl-3-methylbutyric acid;0B9URE7Y2Q;Butanoic acid,3-methyl-2-(1-methylethyl)-;NSC 89795;NSC-89795;3-Methyl-2-(1-methylethyl)butanoic acid;dii-propylacetic acid;UNII-0B9URE7Y2Q;NCIOpen2_001497;SCHEMBL66413;DTXSID60185908;NSC89795;Butyric acid, 2-isopropyl-3-methyl;AKOS006381619;BUTYRIC ACID, 2-ISOPROPYL-3-METHYL-;CS-0238907;EN300-202030;A1-44735

Chemical Property of 2-Isopropyl-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.0294mmHg at 25°C
• Boiling Point: 226.6°Cat760mmHg
• Flash Point: 101.7°C
• PSA: 37.30000
• Density: 0.922g/cm³
• LogP: 1.99920
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-ISOPROPYL-3-METHYLBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-3-methylbutanoic acid

There total 15 articles about 2-Isopropyl-3-methylbutanoic 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: 90.0%

2-iodo-propane (75-30-9) + 3-methylbutyric acid (503-74-2) → 2-isopropyl-3-methylbutanoic acid (32118-53-9)

Guidance literature:

With lithium diisopropyl amide;

Reference yield:

2-iodo-propane (75-30-9) + C5H8O2(2-)*2Li(1+) (66730-62-9) → 2-isopropyl-3-methylbutanoic acid (32118-53-9)

Guidance literature:

C₅H₈O₂^(2-)*2Li⁽¹⁺⁾; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; In tetrahydrofuran; at 5 ℃; for 0.5h;

2-iodo-propane; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jm901229s

Reference yield:

diisopropylethyl amide (5440-65-3) → 2-isopropyl-3-methylbutanoic acid (32118-53-9)

Guidance literature:

With sulfuric acid; sodium nitrite;

DOI:10.1021/ja01601a068 DOI:10.1021/ja01567a046

upstream raw materials:

diisopropylethyl amide

methyl 2-isopropyl-3-methylbutanoate

2-cyano-2-isopropyl-3-methyl-butyric acid

diisopropyl-malonic acid

Downstream raw materials:

methyl 2-isopropyl-3-methylbutanoate

Refernces

• 1、 Hen, Naama,Bialer, Meir,Yagen, Boris. "Syntheses and evaluation of anticonvulsant activity of novel branched alkyl carbamates". experimental part. p. 2835 - 2845. Retrieved 2012/06/15.
• 2、 Kaufmann, Dan,Bialer, Meir,Shimshoni, Jakob Avi,Devor, Marshall,Yagen, Boris. "Synthesis and evaluation of antiallodynic and anticonvulsant activity of novel amide and urea derivatives of valproic acid analogues". experimental part. p. 7236 - 7248. Retrieved 2010/07/04.