3,4-Diphenylhexane-3,4-diol

Base Information

• Chemical Name: 3,4-Diphenylhexane-3,4-diol
• CAS No.: 10442-33-8
• Molecular Formula: C18H22O2
• Molecular Weight: 270.371
• European Community (EC) Number: 600-563-8
• NSC Number: 177479
• DSSTox Substance ID: DTXSID30306562
• Nikkaji Number: J1.488.946I
• Mol file: 10442-33-8.mol

Synonyms:3,4-diphenylhexane-3,4-diol;10442-33-8;NSC 177479;NSC177479;3,4-diphenyl-3,4-hexanediol;SCHEMBL4433627;DTXSID30306562;AKOS004906908;NSC-177479;C(O)(CC)(c1ccccc1)C(O)(CC)c2ccccc2;MESO-3,4-DIPHENYL-3,4-HEXANEDIOL

Chemical Property of 3,4-Diphenylhexane-3,4-diol

Chemical Property:

• Vapor Pressure: 9.37E-08mmHg at 25°C
• Boiling Point: 418.6°Cat760mmHg
• Flash Point: 192.4°C
• PSA: 40.46000
• Density: 1.1g/cm³
• LogP: 3.58200
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Diphenylhexane-3,4-diol

There total 12 articles about 3,4-Diphenylhexane-3,4-diol 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: 94.0%

1-phenyl-propan-1-one (93-55-0) → 3,4-diphenyl-hexane-3,4-diol (10442-33-8)

Guidance literature:

With tert-butyl isocyanide; titanium chloride; zinc; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1246/cl.1998.1107

Reference yield: 40.0%

1-phenyl-propan-1-one (93-55-0) → 3,4-diphenyl-hexane-3,4-diol (10442-33-8) + (R)-1-phenyl-1-propanol (1565-74-8) + (S)-1-phenyl-1-propanol (613-87-6)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; (1R,2S)-(-)-N,N-dimethylephedrinium tetrafluoroborate; In water; N,N-dimethyl-formamide; Electrolysis;

DOI:10.1246/bcsj.75.587

Reference yield:

1-Phenyl-1-propanol (93-54-9) + acetophenone (98-86-2) → 2,3-diphenyl-2,3-butanediol (1636-34-6) + 1-Phenylethanol (98-85-1,13323-81-4) + 3,4-diphenyl-hexane-3,4-diol (10442-33-8) + 2,3-diphenyl-pentane-2,3-diol + 1-phenyl-propan-1-one (93-55-0)

Guidance literature:

In benzene; Quantum yield; Ambient temperature; Irradiation; varying alcohol concentration;

DOI:10.1021/j100152a049

upstream raw materials:

ethanol

1-phenyl-propan-1-one

1-Phenyl-1-propanol

acetophenone

Downstream raw materials:

1-phenyl-propan-1-one

(E,E)-3,4-diphenyl-2,4-hexadiene