4-Chloroaniline 4-methylbenzenesulfonate(1:1)

Base Information

• Chemical Name: 4-Chloroaniline 4-methylbenzenesulfonate(1:1)
• CAS No.: 7255-72-3
• Molecular Formula: C13H14ClNO3S
• Molecular Weight: 299.778
• NSC Number: 65758
• DSSTox Substance ID: DTXSID90289948

Synonyms:7255-72-3;4-chloroaniline 4-methylbenzenesulfonate(1:1);NSC65758;SCHEMBL2779349;DTXSID90289948;NSC-65758

Chemical Property of 4-Chloroaniline 4-methylbenzenesulfonate(1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 299.0382922
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1N)Cl

Technology Process of 4-Chloroaniline 4-methylbenzenesulfonate(1:1)

There total 15 articles about 4-Chloroaniline 4-methylbenzenesulfonate(1:1) 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: 57.0%

1-{1-(4-chlorophenyl)-4-[(4-chlorophenyl)amino]-5-(2-fluorophenyl)-5-hydroxy-2-methyl-4,5-dihydro-1H-pyrrol-3-yl}ethan-1-one + toluene-4-sulfonic acid (104-15-4) → 4-chloroaniline p-toluenesulfonate (7255-72-3) + o-fluorophenylglyoxal (137684-19-6) + acetylacetone (123-54-6,81235-32-7)

Guidance literature:

In toluene; at 80 ℃; for 2h;

DOI:10.1007/s10593-019-02544-z

Reference yield: 10.0%

Toluene-4-sulfonic acid 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl ester (87813-97-6) + 4-chloro-aniline (106-47-8) → 4-chloroaniline p-toluenesulfonate (7255-72-3) + N,N'-bis(4-chlorophenyl)urea (1219-99-4)

Guidance literature:

at 200 ℃; for 1h;

Reference yield:

4-chloro-aniline (106-47-8) + methyl p-toluene sulfonate (80-48-8) → N-methyl(p-chloroaniline) (932-96-7) + 4-chloroaniline p-toluenesulfonate (7255-72-3)

Guidance literature:

In methanol; at 65 ℃;

upstream raw materials:

indan-2-yl p-toluenesulphonate

4-chloro-aniline

neopentyl tosylate

Toluene-4-sulfonic acid 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl ester

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