4,4,4-Triphenylbutanoic acid

Base Information

• Chemical Name: 4,4,4-Triphenylbutanoic acid
• CAS No.: 16778-09-9
• Molecular Formula: C22H20 O2
• Molecular Weight: 316.4
• NSC Number: 112938
• DSSTox Substance ID: DTXSID10296977
• Wikidata: Q82037847
• ChEMBL ID: CHEMBL2002466

Synonyms:4,4,4-triphenylbutanoic acid;16778-09-9;NSC112938;SCHEMBL5329346;CHEMBL2002466;DTXSID10296977;NSC-112938;NCI60_000291

Chemical Property of 4,4,4-Triphenylbutanoic acid

Chemical Property:

• Vapor Pressure: 5.51E-09mmHg at 25°C
• Boiling Point: 452.7°Cat760mmHg
• Flash Point: 349.4°C
• Density: 1.142g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 316.146329876
• Heavy Atom Count: 24
• Complexity: 339

Purity/Quality:

98%min ^*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(CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 4,4,4-Triphenylbutanoic acid

There total 11 articles about 4,4,4-Triphenylbutanoic 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: 86.0%

4,4,4-Triphenyl-1-butanol (16778-07-7) → 4,4,4-triphenylbutanoic acid (16778-09-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone; at 20 ℃;

DOI:10.1016/j.bmcl.2008.07.128

Reference yield: 85.0%

4,4,4-triphenylbutanal (16778-12-4) → 4,4,4-triphenylbutanoic acid (16778-09-9)

Guidance literature:

With potassium permanganate; sodium hydrogencarbonate; In acetone; at 0 - 20 ℃; for 1h;

DOI:10.1021/jm201195m

Reference yield:

3,3,3-triphenylpropyl-1-iodopropane (5350-43-6) → 4,4,4-triphenylbutanoic acid (16778-09-9)

Guidance literature:

With diethyl ether; magnesium; benzene; Einleiten von Kohlendioxid in das Reaktionsgemisch;

DOI:10.1021/ja01251a048

upstream raw materials:

diazomethane

3,3,3-triphenylpropionyl chloride

3,3,3-triphenylpropyl-1-iodopropane

4,4,4-triphenyl-butyronitrile

Downstream raw materials:

1-bromo-3,3,3-triphenylpropane

γ,γ,γ-Triphenylbutyryl-peroxid

4,4',4''-triphenylbutanoyl chloride

C₃₀H₂₉NO

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