2,2,3-Trimethylbutyric acid

Base Information

• Chemical Name: 2,2,3-Trimethylbutyric acid
• CAS No.: 49714-52-5
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• European Community (EC) Number: 256-441-6
• DSSTox Substance ID: DTXSID10197990
• Nikkaji Number: J320.007H
• Wikidata: Q83070754
• Mol file: 49714-52-5.mol

Synonyms:2,2,3-trimethylbutanoic acid;49714-52-5;2,2,3-Trimethylbutyric acid;butanoic acid, 2,2,3-trimethyl-;EINECS 256-441-6;2,2,3-trimethyl-butyric acid;2,2,3-trimethylbutanoicacid;SCHEMBL209810;DTXSID10197990;AKOS006276604;CS-0264607;EN300-93467;Z1198160164

Chemical Property of 2,2,3-Trimethylbutyric acid

Chemical Property:

• Vapor Pressure: 0.113mmHg at 25°C
• Boiling Point: 203.6°Cat760mmHg
• Flash Point: 88.5°C
• PSA: 37.30000
• Density: 0.935g/cm³
• LogP: 1.75320
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2,2,3-TrimethylbutanoicAcid ^*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(=O)O

Technology Process of 2,2,3-Trimethylbutyric acid

There total 26 articles about 2,2,3-Trimethylbutyric 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: 32.2%

formic acid (64-18-6) + 2,3-dimethylbutane (79-29-8) → 2,2,3-trimethylbutanoic acid (49714-52-5)

Guidance literature:

With sulfuric acid;

DOI:10.1002/1522-2675(200207)85:7<2083::AID-HLCA2083>3.0.CO;2-#

Reference yield:

ethyl 2,2,3-trimethylbutanoate (1727-61-3) → 2,2,3-trimethylbutanoic acid (49714-52-5)

Guidance literature:

ethyl 2,2,3-trimethylbutanoate; With sodium hydroxide; In ethanol; water; at 20 ℃;

With hydrogenchloride; In water; pH=2;

Reference yield:

benzyl 2,2,3-trimethylbut-3-enoate → 2,2,3-trimethylbutanoic acid (49714-52-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 12h; under 2068.65 Torr;

upstream raw materials:

2,2,3-trimethyl-3-butenoic acid

2-chloro-2,3-dimethylbutane

2,4-dimethyl-2-pentene

2,2,3-trimethyl-butyric acid amide

Downstream raw materials:

2,2,3-trimethylbutan-1-ol

2,2,3-trimethyl-butyric acid amide

2,2,3,3,5,5,6-heptamethyl-heptan-4-one

2,2,3-trimethyl-butyric acid anilide

Refernces

• 1、 Wang, Youliang,Zarca, Maxence,Gong, Liu-Zhu,Zhang, Liming. "A C-H Insertion Approach to Functionalized Cyclopentenones". supporting information. p. 7516 - 7519. Retrieved 2016/07/06.
• 2、 Li, Mingliang,Yang, Yudong,Zhou, Danni,Wan, Danyang,You, Jingsong. "Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones". supporting information. p. 2546 - 2549. Retrieved 2015/05/27.