1,3-Diphenylpropane

Base Information

• Chemical Name: 1,3-Diphenylpropane
• CAS No.: 1081-75-0
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• Hs Code.: 2902909090
• European Community (EC) Number: 214-101-4
• NSC Number: 54371
• UNII: X3DIQ9W9PO
• DSSTox Substance ID: DTXSID80862527
• Nikkaji Number: J110.632E
• Wikidata: Q27115781
• Metabolomics Workbench ID: 45609
• Mol file: 1081-75-0.mol

Synonyms:1,3-diphenylpropane

Chemical Property of 1,3-Diphenylpropane

Chemical Property:

• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: -20.75°C
• Refractive Index: 1.5600
• Boiling Point: 300.3 °C at 760 mmHg
• Flash Point: 129.2 °C
• PSA: 0.00000
• Density: 0,984 g/cm³
• LogP: 3.86190
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Diphenylpropane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC2=CC=CC=C2
• Uses: It is employed as a intermediate for pharmaceutical.

Technology Process of 1,3-Diphenylpropane

There total 172 articles about 1,3-Diphenylpropane 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: 81.0%

N-cyclopropyl benzenesulfonamide (129716-35-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → phenylpropane (103-65-1) + 1,2-diphenylpropane (5814-85-7) + 1,3-diphenylpropane (1081-75-0)

Guidance literature:

With aluminium trichloride; for 3.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76658-5

Reference yield: 34.0%

(2-(benzylsulfonyl)ethyl)benzene (67399-12-6) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1,3-diphenylpropane (1081-75-0) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

at 600 ℃; for 0.0333333h; under 20 Torr;

DOI:10.1246/bcsj.55.182

Reference yield: 31.7%

dichloromethane (75-09-2) + benzylmagnesium chloride (6921-34-2) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1,4-diphenylbutane (1083-56-3) + 1,3-diphenylpropane (1081-75-0)

Guidance literature:

With C₃₁H₃₇ClN₃NiO₂^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at 25 ℃; for 0.333333h; Overall yield = 78.9 %; Inert atmosphere;

DOI:10.1016/j.molcata.2012.07.007

upstream raw materials:

dichloromethane

benzyl sodium

dihydrochalcone

1,3-diphenylpropene

Downstream raw materials:

1,3-bis(4-chloromethylphenyl)propane

dihydrochalcone

1,1'-(1,3-propanediyl)biscyclohexane

1,3-bis-(4-nitro-phenyl)-propane

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