3-Hydroxy-2,3,4,4-tetramethylpentanoic acid

Base Information

• Chemical Name: 3-Hydroxy-2,3,4,4-tetramethylpentanoic acid
• CAS No.: 90677-45-5
• Molecular Formula: C₉H₁₈O₃
• Molecular Weight: 174.24
• NSC Number: 172555
• DSSTox Substance ID: DTXSID90305899
• Mol file: 90677-45-5.mol

Synonyms:90677-45-5;3-hydroxy-2,3,4,4-tetramethylpentanoic acid;NSC172555;DTXSID90305899;NSC-172555

Chemical Property of 3-Hydroxy-2,3,4,4-tetramethylpentanoic acid

Chemical Property:

• Vapor Pressure: 0.000623mmHg at 25°C
• Boiling Point: 275.8°Cat760mmHg
• Flash Point: 134.9°C
• Density: 1.026g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Hydroxy-2,3,4,4-tetramethylpentanoic acid

There total 3 articles about 3-Hydroxy-2,3,4,4-tetramethylpentanoic 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-hydroxy-2,3,4,4-tetramethyl-valeric acid ethyl ester (91243-72-0) → 3-Hydroxy-2,3,4,4-tetramethyl-pentansaeure-(1) (90677-45-5)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jo01067a608

Reference yield:

3,3-dimethyl-butan-2-one (75-97-8) → 3-Hydroxy-2,3,4,4-tetramethyl-pentansaeure-(1) (90677-45-5)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. NaOH / ethanol

With sodium hydroxide; In ethanol;

DOI:10.1021/jo01067a608

Reference yield:

→ 3-Hydroxy-2,3,4,4-tetramethyl-pentansaeure-(1) (90677-45-5)

Guidance literature:

durch Verseifen des Aethylesters;

upstream raw materials:

3-hydroxy-2,3,4,4-tetramethyl-valeric acid ethyl ester

3,3-dimethyl-butan-2-one