1-(4-Nitrophenyl)-6-phenylhexatriene

Base Information

• Chemical Name: 1-(4-Nitrophenyl)-6-phenylhexatriene
• CAS No.: 20264-90-8
• Molecular Formula: C18H15NO2
• Molecular Weight: 277.3172
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID30407821
• Mol file: 20264-90-8.mol

Synonyms:1-(4-NITROPHENYL)-6-PHENYLHEXATRIENE;1-nitro-4-(6-phenylhexa-1,3,5-trienyl)benzene;20264-90-8;DTXSID30407821;1-(4'-Nitrophenyl)-6-phenyl-hexa-1,3,5-trien

Chemical Property of 1-(4-Nitrophenyl)-6-phenylhexatriene

Chemical Property:

• Melting Point: 188-189 °C(lit.)
• PSA: 45.82000
• LogP: 5.40080
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.110278721
• Heavy Atom Count: 21
• Complexity: 392

Purity/Quality:

99% ^*data from raw suppliers

1-(4-NITROPHENYL)-6-PHENYLHEXATRIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)-6-phenylhexatriene

There total 3 articles about 1-(4-Nitrophenyl)-6-phenylhexatriene 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: 56.0%

phenyltriene (54826-11-8) + para-nitrophenyl bromide (586-78-7) → 1-Phenyl-6-<4-Nitro-phenyl>-hexatrien-(1,3,5) (20264-90-8)

Guidance literature:

With triethylamine; palladium diacetate; tris-(o-tolyl)phosphine; at 100 ℃; for 20h;

DOI:10.1021/jo00183a029

Reference yield:

5-phenylpenta-2,4-dienal (13466-40-5) + (p-nitrobenzyl)triphenylphosphonium bromide (2767-70-6) → 1-Phenyl-6-<4-Nitro-phenyl>-hexatrien-(1,3,5) (20264-90-8)

Guidance literature:

With lithium methanolate;

DOI:10.1139/v71-601

Reference yield:

5-phenylpenta-2,4-dienal (13466-40-5) + 4-nitrobenzeneacetic acid (104-03-0) → 1-Phenyl-6-<4-Nitro-phenyl>-hexatrien-(1,3,5) (20264-90-8)

Guidance literature:

With acetic anhydride; lead(II) oxide;

upstream raw materials:

5-phenylpenta-2,4-dienal

(p-nitrobenzyl)triphenylphosphonium bromide

phenyltriene

para-nitrophenyl bromide