2,3,3-Trimethylbutanoic acid

Base Information

• Chemical Name: 2,3,3-Trimethylbutanoic acid
• CAS No.: 19910-29-3
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• European Community (EC) Number: 851-166-3
• DSSTox Substance ID: DTXSID80380771
• Nikkaji Number: J402.993C
• Mol file: 19910-29-3.mol

Synonyms:2,3,3-trimethylbutanoic acid;19910-29-3;2,3,3-TRIMETHYLBUTANOICACID;Butanoic acid,2,3,3-trimethyl-;2,3,3-trimethylbutyric acid;SCHEMBL125061;2,3,3-trimethyl-butyric acid;DTXSID80380771;ILBXYVICWFMUPR-UHFFFAOYSA-N;2-methyl-3,3-dimethylbutanoic acid;MFCD00830737;AKOS009158448;SB46327;SB73998;BS-13104;FT-0691350;EN300-78988;J-506844;Z792377250

Chemical Property of 2,3,3-Trimethylbutanoic acid

Chemical Property:

• Melting Point: 24.5 °C
• Boiling Point: 203.6 °C at 760 mmHg
• PKA: 4.83±0.16(Predicted)
• Flash Point: 88.5 °C
• PSA: 37.30000
• Density: 0.935 g/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: 111

Purity/Quality:

99% ^*data from raw suppliers

2,3,3-trimethylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,3-Trimethylbutanoic acid

There total 2 articles about 2,3,3-Trimethylbutanoic 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: 30.0%

→ 4,4-dimethylpentanoic acid (1118-47-4) + 2,3,3-trimethylbutanoic acid (19910-29-3)

Guidance literature:

With nickel(II) iodide; manganese; Bathocuproine; water; In N,N-dimethyl-formamide; at 50 ℃; for 40h; under 760.051 Torr;

Reference yield:

3,4,4-trimethyl-2-pentanone (5340-45-4) → Bromoform (75-25-2) + 2,3,3-trimethylbutanoic acid (19910-29-3)

Guidance literature:

With sodium hypobromide;

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) + 2,3,3-trimethylbutanoic acid (19910-29-3) → 2,6-dimethylphenyl 2,3,3-trimethylbutanoate (1427179-51-8)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1021/ol400392r

upstream raw materials:

3,4,4-trimethyl-2-pentanone

Downstream raw materials:

1,2,2-trimethyl propyl acetate

N-(2,6-Dimethylphenyl)-2,3,3-trimethylbutanamid

2,3,3-Trimethyl-N-(2,4,6-trimethylphenyl)butanamid

N-(2-Amino-phenyl)-2,3,3-trimethyl-butyramide

Refernces