4'-Methylbiphenyl-4-sulfonyl chloride

Base Information

• Chemical Name: 4'-Methylbiphenyl-4-sulfonyl chloride
• CAS No.: 101366-51-2
• Molecular Formula: C13H11ClO2S
• Molecular Weight: 266.748
• Hs Code.: 2904909090
• European Community (EC) Number: 638-951-4
• DSSTox Substance ID: DTXSID40383384
• Wikidata: Q72488255
• Mol file: 101366-51-2.mol

Synonyms:101366-51-2;4'-Methylbiphenyl-4-sulfonyl chloride;4-(4-methylphenyl)benzenesulfonyl Chloride;4'-Methyl[1,1'-Biphenyl]-4-Sulfonyl Chloride;4'-methyl-[1,1'-biphenyl]-4-sulfonyl chloride;[1,1'-Biphenyl]-4-sulfonyl chloride, 4'-methyl-;MFCD01631922;4'-methyl-biphenyl-4-sulfonyl chloride;[4-(4-methylphenyl)phenyl]sulphonyl chloride;VIOLET3;SCHEMBL995781;F9995-0462;DTXSID40383384;DBYXACYHGMSPMQ-UHFFFAOYSA-N;AR2096;AKOS000813772;4'-methyl biphenyl-4-sulfonyl chloride;4'-(methyl)biphenyl-4-sulfonyl chloride;AS-45270;4'-Methylbiphenyl-4-sulfonyl chloride, 95%;CS-0076697;FT-0754038;4'-methyl-[1,1'-biphenyl]-4-sulfonylchloride;4-(4-methylphenyl)benzene-1-sulfonyl chloride;EN300-236119;4'-Methyl-[1,1'-biphenyl]-4-sulphonyl chloride

Chemical Property of 4'-Methylbiphenyl-4-sulfonyl chloride

Chemical Property:

• Melting Point: 107 °C
• Boiling Point: 385.8 °C at 760 mmHg
• Flash Point: 187.1 °C
• PSA: 42.52000
• Density: 1.284 g/cm³
• LogP: 4.67030
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.0168285
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

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

4'-Methylbiphenyl-4-sulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4'-Methylbiphenyl-4-sulfonyl chloride

There total 1 articles about 4'-Methylbiphenyl-4-sulfonyl chloride 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:

4'-methylbiphenyl-4-sulfonic acid (91903-24-1) → 4'-methyl-[1,1'-biphenyl]-4-sulfonyl chloride (101366-51-2)

Guidance literature:

With oxalyl dichloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jm801394m

Reference yield: 72.0%

Cytosine (71-30-7) + 4'-methyl-[1,1'-biphenyl]-4-sulfonyl chloride (101366-51-2) → N1-(4′-methylbiphenyl-4-sulfonyl)cytosine

Guidance literature:

Cytosine; With N,O-bis-(trimethylsilyl)-acetamide; In acetonitrile; for 0.5h; Reflux;

4'-methyl-[1,1'-biphenyl]-4-sulfonyl chloride; at 0 ℃; for 1h; Reflux;

DOI:10.1039/c8ob00253c

Reference yield: 62.0%

N,N'-bis{[(1S,3R,4R)-2-((S)-1-phenylethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methyl}ethan-1,2-diamine + 4'-methyl-[1,1'-biphenyl]-4-sulfonyl chloride (101366-51-2) → bis-4’-methyl-N,N-{[(1S,3R,4R)-2-((S)-1-phenylethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methyl}-[1,1'-biphenyl]ethyl-4-sulfonamide

Guidance literature:

With potassium hydroxide; In dichloromethane; at 20 ℃; for 24h;

DOI:10.3390/molecules25102355

upstream raw materials:

4'-methylbiphenyl-4-sulfonic acid

Downstream raw materials:

N-(3-(benzo[d]thiazol-2-yl)thiopen-2-yl)-4'-methylbiphenyl-4-sulfonamide

Refernces