3-benzylpentanedioic Acid

Base Information

• Chemical Name: 3-benzylpentanedioic Acid
• CAS No.: 32386-49-5
• Molecular Formula: C12H14O4
• Molecular Weight: 222.23716
• European Community (EC) Number: 860-281-8
• Mol file: 32386-49-5.mol

Synonyms:3-benzylpentanedioic Acid;32386-49-5;3-benzylpentanedioicAcid;Oprea1_576973;SCHEMBL11460484;EN300-6759246;A875637;Z2044754428

Chemical Property of 3-benzylpentanedioic Acid

Chemical Property:

• PSA: 74.60000
• LogP: 1.79470
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

3-BenzylpentanedioicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-benzylpentanedioic Acid

There total 18 articles about 3-benzylpentanedioic 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-benzylpentanedinitrile → 3-benzylpentanedioic acid (32386-49-5)

Guidance literature:

With sulfuric acid; In water; for 72h; Reflux;

DOI:10.1016/j.ejmech.2014.12.005

Reference yield:

→ 3-benzylpentanedioic acid (32386-49-5)

Guidance literature:

at 165 ℃;

DOI:10.1021/ja01354a052

Reference yield:

diethyl 2-benzylmalonate (607-81-8) → 3-benzylpentanedioic acid (32386-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: (i) MeSO₂Cl, (ii) /BRN= 4652394/, (iii) aq. NaOH

With lithium aluminium tetrahydride;

upstream raw materials:

4-benzylcyclohexanol

3-benzyl-2,4-dicyano-glutaric acid

phenylacetaldehyde

diethylamine

Downstream raw materials:

3-benzyl-glutaric acid-anhydride