4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
• CAS No.: 353254-99-6
• Molecular Formula: C13H12ClNO3S
• Molecular Weight: 297.75700
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10353433
• Wikidata: Q82131029
• ChEMBL ID: CHEMBL3314640
• Mol file: 353254-99-6.mol

Synonyms:4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide;353254-99-6;4-Chloro-N-(2-(hydroxymethyl)phenyl)benzenesulfonamide;4-Chloro-N-[2-(hydroxymethyl)phenyl]-benzenesulfonamide;4-chloro-N-[2-(hydroxymethyl)phenyl]benzene-1-sulfonamide;2-[(4-Chlorophenylsulphonyl)amino]benzyl alcohol;chlorohydroxymethylphenylbenzenesulfonamide;Cambridge id 6126088;CHEMBL3314640;DTXSID10353433;MFCD01647380;STK119808;AKOS000608827;MA-0724;CS-0316091;AI-204/12184007;SR-01000482891;J-515159;SR-01000482891-1

Chemical Property of 4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

Chemical Property:

• Melting Point: 145-147
• PSA: 74.78000
• LogP: 3.78690
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 297.0226421
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)NS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

There total 1 articles about 4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide 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: 100.0%

2-Aminobenzyl alcohol (5344-90-1) + 4-chlorobenzenesulfonyl chloride (98-60-2) → N-(2-hydroxymethylphenyl)-4-chlorobenzenesulfonamide (353254-99-6)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/S0957-4166(03)00356-2

Reference yield: 99.0%

N-(2-hydroxymethylphenyl)-4-chlorobenzenesulfonamide (353254-99-6) → N-(4'-chlorobenzenesulfonyl)-o-aminobenzaldehyde (480439-29-0)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/S0957-4166(03)00356-2

Reference yield:

N-(2-hydroxymethylphenyl)-4-chlorobenzenesulfonamide (353254-99-6) → C23H16ClNO3S (1613505-56-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C

2: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; potassium hexafluorophosphate; silver carbonate / 1,2-dichloro-ethane / 16 h / 100 °C / Inert atmosphere

With potassium hexafluorophosphate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate; pyridinium chlorochromate; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1039/c4ob00704b

upstream raw materials:

2-Aminobenzyl alcohol

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

N-(4'-chlorobenzenesulfonyl)-o-aminobenzaldehyde

C₂₃H₁₆ClNO₃S

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