gamma-Hydroxy-gamma-methylbenzenebutanoic acid

Base Information

• Chemical Name: gamma-Hydroxy-gamma-methylbenzenebutanoic acid
• CAS No.: 35959-54-7
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID701282412
• Mol file: 35959-54-7.mol

Synonyms:gamma-Hydroxy-gamma-methylbenzenebutanoic acid;SCHEMBL3228621;DTXSID701282412;AKOS014313952;35959-54-7

Chemical Property of gamma-Hydroxy-gamma-methylbenzenebutanoic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)O)(C1=CC=CC=C1)O

Technology Process of gamma-Hydroxy-gamma-methylbenzenebutanoic acid

There total 6 articles about gamma-Hydroxy-gamma-methylbenzenebutanoic 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:

5-methyl-5-phenyl-dihydro-furan-2-one (7210-42-6,21303-80-0,69854-29-1,88314-79-8) → 4-hydroxy-4-phenyl-valeric acid (35959-54-7)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1002/cber.19721050403

Reference yield:

acetophenone (98-86-2) → 4-hydroxy-4-phenyl-valeric acid (35959-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate; tert-butyl alcohol / Erhitzen des Reaktionsprodukts mit wss. Bromwasserstoffsaeure und Essigsaeure

2: aq. NaOH solution

With sodium hydroxide; potassium tert-butylate; tert-butyl alcohol;

DOI:10.1021/ja01193a020

Reference yield:

ethyl 3-benzoylpropanoate (6270-17-3) → 4-hydroxy-4-phenyl-valeric acid (35959-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Behandeln des Reaktionsprodukts mit wss.-aethanol. Natronlauge und Erwaermen mit wss. Schwefelsaeure

2: aq. NaOH solution

With sodium hydroxide; diethyl ether;

upstream raw materials:

5-methyl-5-phenyl-dihydro-furan-2-one

4-phenyl-1-pentanoic acid

acetophenone

ethyl 3-benzoylpropanoate

Downstream raw materials:

(+/-)-4-methyl-4-phenyl-3,4-dihydronaphthalen-1(2H)-one

4,4-diphenyl-valeric acid

5-methyl-5-phenyl-dihydro-furan-2-one

(+)-4-hydroxy-4-phenyl-valeric acid

Refernces