3,4-Diphenylhexanedioic acid

Base Information

• Chemical Name: 3,4-Diphenylhexanedioic acid
• CAS No.: 25347-44-8
• Molecular Formula: C18H18 O4
• Molecular Weight: 298.339
• Hs Code.: 2917399090
• NSC Number: 631505,157546
• DSSTox Substance ID: DTXSID30303253
• Nikkaji Number: J135.408F
• Mol file: 25347-44-8.mol

Synonyms:3,4-Diphenylhexanedioic acid;25347-44-8;NSC631505;3,4-Diphenyladipic acid;NSC157546;SCHEMBL12473262;DTXSID30303253;NSC-157546;NSC-631505

Chemical Property of 3,4-Diphenylhexanedioic acid

Chemical Property:

• Vapor Pressure: 2.15E-08mmHg at 25°C
• Boiling Point: 436.6°Cat760mmHg
• Flash Point: 232°C
• PSA: 74.60000
• Density: 1.244g/cm³
• LogP: 3.50340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(CC(=O)O)C2=CC=CC=C2

Technology Process of 3,4-Diphenylhexanedioic acid

There total 19 articles about 3,4-Diphenylhexanedioic 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: 41.0%

[(E)-2-bromoethenyl]benzene (588-72-7,1340-14-3) → (E)-3-phenylacrylic acid (140-10-3) + 3,4-diphenylhexanedioic acid (25347-44-8) + 3-Phenylpropionic acid (501-52-0)

Guidance literature:

With sodium hydroxide; tin; potassium tetracyanonickelate(II); In methanol; water; at 60 ℃; for 10h; Product distribution; Mechanism; variation of solvent, base and reductant;

Reference yield:

meso-3,4-Diphenylhexan-1,6-diol (15898-52-9) → 3,4-diphenylhexanedioic acid (25347-44-8)

Guidance literature:

With Jones oxidative system; In acetone; at 0 ℃; for 0.5h;

DOI:10.1021/ol016566p

Reference yield:

3,4-Diphenyl-hexanedioic acid bis-((1R,2R,3S,4R)-3-benzhydryl-1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl) ester → 3,4-diphenylhexanedioic acid (25347-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LAH / tetrahydrofuran / 12 h / 20 °C

2: Jones oxidative system / acetone / 0.5 h / 0 °C

With lithium aluminium tetrahydride; Jones oxidative system; In tetrahydrofuran; acetone; 2: Jones oxidation;

DOI:10.1021/ol016566p

upstream raw materials:

[(E)-2-bromoethenyl]benzene

ethanol

6-oxo-3,4-diphenyl-3,6-dihydro-2H-pyran-2-carboxylic acid

meso-3,4-Diphenylhexan-1,6-diol

Downstream raw materials:

3,4-diphenyl-adipic acid

racem.-3,4-diphenyl-adipic acid-dichloride

d,l-3,4-Bis-<4-chlorphenyl>-adipinsaeure

dimethyl (3SR,4SR)-3,4-diphenylhexanedioate