1,3-Diphenylbutan-1-ol

Base Information

• Chemical Name: 1,3-Diphenylbutan-1-ol
• CAS No.: 4435-52-3
• Molecular Formula: C16H18O
• Molecular Weight: 226.318
• NSC Number: 59795
• DSSTox Substance ID: DTXSID80289199
• Nikkaji Number: J2.736.621J
• Mol file: 4435-52-3.mol

Synonyms:1,3-diphenylbutan-1-ol;4435-52-3;NSC59795;SCHEMBL11035088;DTXSID80289199;NSC-59795;AKOS013217103

Chemical Property of 1,3-Diphenylbutan-1-ol

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Boiling Point: 347.9°Cat760mmHg
• Flash Point: 139.8°C
• Density: 1.052g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 226.135765193
• Heavy Atom Count: 17
• Complexity: 202

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Diphenylbutan-1-ol

There total 26 articles about 1,3-Diphenylbutan-1-ol 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: 80.0%

crotonaldehyde (123-73-9,4170-30-3) + phenylboronic acid (98-80-6) → rac-1,3-diphenyl-1-butanol (4435-52-3)

Guidance literature:

With potassium phosphate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In tetrahydrofuran; water; at 20 ℃; for 48h;

DOI:10.1016/j.tetlet.2009.06.074

Reference yield: 70.0%

(S)-1-phenylethanol (1445-91-6) → rac-1,3-diphenyl-1-butanol (4435-52-3)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; cesium hydroxide; 2,6-bis(N-butyl-N'-methylenebenzimidazolium)-1-bromophenylene dibromide; In para-xylene; at 125 ℃; for 24h;

DOI:10.1039/b914618k

Reference yield: 64.0%

1-Phenylethanol (98-85-1,13323-81-4) + benzyl alcohol (100-51-6,185532-71-2) → rac-1,3-diphenyl-1-butanol (4435-52-3) + 1,3-diphenylbutane-1-one (1533-20-6)

Guidance literature:

With benzaldehyde; potassium hydroxide; at 160 ℃; for 72h; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201200996

upstream raw materials:

(E)-1,3-diphenyl-3-methyl-2-propen-1-one

1-Phenylethanol

1,3-diphenylbutane-1-one

1-acetoxy-1,3-diphenylbutane

Downstream raw materials:

4-nitro-benzoic acid-(1,3-diphenyl-butyl ester)

1,3-diphenylbutane-1-one

1,3-diphenyl-1-butene