trans-1,3-Diphenyl-2-propen-1-ol

Base Information

• Chemical Name: trans-1,3-Diphenyl-2-propen-1-ol
• CAS No.: 4663-33-6
• Molecular Formula: C₁₅H₁₄O
• Molecular Weight: 210.276
• European Community (EC) Number: 629-422-9
• Nikkaji Number: J706.256G,J820.258C
• ChEMBL ID: CHEMBL5185073
• Mol file: 4663-33-6.mol

Synonyms:(E)-1,3-diphenylprop-2-en-1-ol;62668-02-4;trans-1,3-Diphenyl-2-propen-1-ol;1,3-Diphenyl-2-propen-1-ol;4663-33-6;chalcol;EC-000.1428;alpha-Phenylcinnamyl alcohol;SCHEMBL477645;SCHEMBL477646;1,3-Diphenyl-1-propen-3-ol;CHEMBL5185073;ORACYDGVNJGDMI-VAWYXSNFSA-;AMY24271;MFCD00239426;AKOS005198958;(2E)-1,3-Diphenyl-2-propen-1-ol;(E)-1,3-di(phenyl)prop-2-en-1-ol;DS-16496;A8663;CS-0064542;D2808;D70435;W-200032;trans-1,3-Diphenyl-2-propen-1-ol, >=98.0% (HPLC);InChI=1/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15-16H/b12-11+

Chemical Property of trans-1,3-Diphenyl-2-propen-1-ol

Chemical Property:

• Melting Point: 55-57 °C
• Boiling Point: 130 °C(Press: 8 Torr)
• PKA: 13.80±0.20(Predicted)
• PSA: 20.23000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 3.43340
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-1,3-Diphenyl-2-propen-1-ol

There total 43 articles about trans-1,3-Diphenyl-2-propen-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: 99.0%

benzalacetophenone (94-41-7) → 1,3-diphenyl-3-hydroxypropene (4663-33-6,62668-02-4,62839-70-7,116127-91-4,132014-29-0,136981-81-2,148616-45-9)

Guidance literature:

With silica gel; sodium cyanoborohydride; for 0.0208333h; regioselective reaction; Neat (no solvent); Microwave irradiation;

DOI:10.5012/bkcs.2010.31.10.2961

Reference yield: 95.0%

3-phenyl-propenal (104-55-2) + phenylboronic acid (98-80-6) → 1,3-diphenyl-3-hydroxypropene (4663-33-6,62668-02-4,62839-70-7,116127-91-4,132014-29-0,136981-81-2,148616-45-9)

Guidance literature:

With Rh₂(trifluoroacetate)₄(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)₂; potassium tert-butylate; In methanol; at 65 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2010.08.050

Reference yield: 93.0%

phenyllithium (591-51-5) + 3-phenyl-N-methoxy-N-methylacrylamide (80783-99-9) → 1,3-diphenyl-3-hydroxypropene (4663-33-6,62668-02-4,62839-70-7,116127-91-4,132014-29-0,136981-81-2,148616-45-9)

Guidance literature:

phenyllithium; 3-phenyl-N-methoxy-N-methylacrylamide; With cerium(III) chloride; In tetrahydrofuran; at -78 ℃; for 3h;

With sodium tetrahydroborate; cerium(III) chloride; In methanol;

DOI:10.1246/cl.2005.470

upstream raw materials:

aluminum ethoxide

benzalacetophenone

3-bromro-1,3-diphenyl-1-propene

trans-1-benzylsulfonyl-2-phenylethene

Downstream raw materials:

dihydrochalcone

3-acetoxy-1,3-diphenylpropene

1,3-Diphenyl-3(p-toluolsulfonsaeure)-propen

1-Dimethylamino-1,3-diphenyl-2-propen