1,3,5-Tris[4-(chloromethyl)phenyl]benzene

Base Information

• Chemical Name: 1,3,5-Tris[4-(chloromethyl)phenyl]benzene
• CAS No.: 66449-09-0
• Molecular Formula: C27H21Cl3
• Molecular Weight: 451.81500
• DSSTox Substance ID: DTXSID50399673
• Nikkaji Number: J2.726.399B
• Wikidata: Q82202353

Synonyms:66449-09-0;1,3,5-tris[4-(chloromethyl)phenyl]benzene;4,4''-bis(chloromethyl)-5'-(4-(chloromethyl)phenyl)-1,1':3',1''-terphenyl;1,1':3',1''-Terphenyl, 4,4''-bis(chloromethyl)-5'-[4-(chloromethyl)phenyl]-;SCHEMBL22156858;YSSJ00482;DTXSID50399673;AKOS024427101;AS-72169;D93163;A918140;4,4',4''-(Benzene-1,3,5-triyl)tris[1-(chloromethyl)benzene];1,1:31"-terphenyl,4,4"-bis(chloromethyl)-5-{4(chloromethyl)phenyl}-;4'-(CHLOROMETHYL)-3,5-BIS[4-(CHLOROMETHYL)PHENYL]-1,1'-BIPHENYL

Chemical Property of 1,3,5-Tris[4-(chloromethyl)phenyl]benzene

Chemical Property:

• PSA: 0.00000
• LogP: 8.90400
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 450.070884
• Heavy Atom Count: 30
• Complexity: 401

Purity/Quality:

99%, ^*data from raw suppliers

4,4''-Bis(chloromethyl)-5'-(4-(chloromethyl)phenyl)-1,1':3',1''-terphenyl 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCl)C2=CC(=CC(=C2)C3=CC=C(C=C3)CCl)C4=CC=C(C=C4)CCl

Technology Process of 1,3,5-Tris[4-(chloromethyl)phenyl]benzene

There total 2 articles about 1,3,5-Tris[4-(chloromethyl)phenyl]benzene 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: 67.0%

1,3,5-tris[(4-hydroxymethyl)phenyl]benzene (353289-47-1) → 1,3,5-tris(p-chloromethylphenyl)benzene (66449-09-0)

Guidance literature:

With N-chloro-succinimide; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/ja0395285

Reference yield:

1,3,5-tris(4-formylphenyl)benzene (118688-53-2) → 1,3,5-tris(p-chloromethylphenyl)benzene (66449-09-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / NaBH₄ / tetrahydrofuran; methanol / 20 °C

2: 67 percent / N-chlorosuccinimide; PPh₃ / tetrahydrofuran

With sodium tetrahydroborate; N-chloro-succinimide; triphenylphosphine; In tetrahydrofuran; methanol;

DOI:10.1021/ja0395285

Reference yield:

4,4'-bipyridine (553-26-4) + 1,3,5-tris(p-chloromethylphenyl)benzene (66449-09-0) → C57H45N6(3+)*3Cl(1-)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 48h;

DOI:10.1021/ja0395285

upstream raw materials:

1,3,5-tris[(4-hydroxymethyl)phenyl]benzene

1,3,5-tris(4-formylphenyl)benzene

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