2,4-Dimethylpentanoic acid

Base Information

• Chemical Name: 2,4-Dimethylpentanoic acid
• CAS No.: 5868-33-7
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• European Community (EC) Number: 837-362-1
• DSSTox Substance ID: DTXSID40574316
• Nikkaji Number: J3.583.185A
• Mol file: 5868-33-7.mol

Synonyms:2,4-DIMETHYLPENTANOIC ACID;5868-33-7;2,4-DIMETHYLPENTANOICACID;Isobutylmethyl-essigsaure;SCHEMBL275848;DTXSID40574316;XMKDPSQQDXTCCK-UHFFFAOYSA-N;MFCD02258587;AKOS010363553;AT29505;EN300-131346;A1-08492;Z756390494

Chemical Property of 2,4-Dimethylpentanoic acid

Chemical Property:

• Refractive Index: 1.4078 (estimate)
• Boiling Point: 210.1°C (estimate)
• PSA: 37.30000
• Density: 0.9221 (rough estimate)
• LogP: 1.75320
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethylpentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)C(=O)O

Technology Process of 2,4-Dimethylpentanoic acid

There total 1 articles about 2,4-Dimethylpentanoic 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:

3,5-dimethylcyclohexan-1-ol (5441-52-1) → 2,4-dimethyladipic acid (40933-45-7) + 2,4-dimethylpentanoic acid (5868-33-7) + 2-methyl-4-oxopentanoic acid (6641-83-4) + 2-methylbutanedioic acid (498-21-5,636-60-2) + 3,5-dimethylcyclohexanone (2320-30-1) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With oxygen; at 130 ℃; under 14710.2 Torr; Kinetics; Product distribution; Mechanism; other temperature;;

Reference yield: 94.0%

2,4-dimethylpentanoic acid (5868-33-7) + 1-(2-amino-5-bromophenyl)propan-1-one (124623-15-0) → N-(4-bromo-2-propionylphenyl)-2,4-dimethylpentanamide

Guidance literature:

With pyridine; trichlorophosphate; at -15 - 20 ℃; for 0.916667h;

Reference yield:

2,4-dimethylpentanoic acid (5868-33-7) → 2,6,8-trimethyl-4-nonanol (123-17-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiAlH₄, (ii) PBr₃

2: (i) Mg, (ii) /BRN= 773692/

DOI:10.1021/ja01092a057

upstream raw materials:

3,5-dimethylcyclohexan-1-ol

Downstream raw materials:

1-Bromo-2,4-dimethylpentane

2,6,8-trimethyl-4-nonanol