2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide

Base Information

• Chemical Name: 2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
• CAS No.: 6073-14-9
• Molecular Formula: C22H22ClN3O4S2
• Molecular Weight: 179.262
• DSSTox Substance ID: DTXSID10367439
• Wikidata: Q82153282
• ChEMBL ID: CHEMBL1410361

Synonyms:6073-14-9;CBMicro_007562;MLS001222720;CHEMBL1410361;DTXSID10367439;HMS2906L20;SMSF0013214;STK742569;AKOS000597087;CB10037;SMR000608128;BIM-0007445.P001;SR-01000519643;SR-01000519643-1;2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide;N~2~-(5-chloro-2-methoxyphenyl)-N~2~-(phenylsulfonyl)-N-[2-(pyridin-2-ylsulfanyl)ethyl]glycinamide;N~2~-(Benzenesulfonyl)-N~2~-(5-chloro-2-methoxyphenyl)-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}glycinamide

Chemical Property of 2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.42g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 491.0740262
• Heavy Atom Count: 32
• Complexity: 685

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Cl)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3

Technology Process of 2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide

There total 5 articles about 2-[Benzenesulfonyl-(5-chloro-2-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide 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: 90.0%

2-tert-Butyl-5-methyl-4-nitroso-phenol (5435-72-3) → 5-(tert-butyl)-4-hydroxy-2-methylaniline (6073-14-9)

Guidance literature:

With hydrazine hydrate; In ethanol; hexane; water; ethyl acetate;

Reference yield: 88.0%

2-(tert-butyl)-5-methyl-4-nitrophenol (72373-70-7) → 5-(tert-butyl)-4-hydroxy-2-methylaniline (6073-14-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 40 ℃; for 3h;

DOI:10.1021/acs.oprd.0c00362

Reference yield:

2-tert-Butyl-5-methylphenol (88-60-8) → 5-(tert-butyl)-4-hydroxy-2-methylaniline (6073-14-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium nitrite / ethanol; water / 0 °C

2: ammonium hydroxide; hydrogen sulfide

With hydrogenchloride; ammonium hydroxide; hydrogen sulfide; sodium nitrite; In ethanol; water;

DOI:10.1016/j.bmcl.2012.12.001

upstream raw materials:

4-sulfobenzenediazonium

2-tert-Butyl-5-methylphenol

2-tert-Butyl-5-methyl-4-nitroso-phenol

2-(tert-butyl)-5-methyl-4-nitrophenol

Downstream raw materials:

N-(5-(tert-Butyl)-4-hydroxy-2-methylphenyl)formamide

C₁₈H₂₁NO

C₁₉H₂₃NO

C₂₀H₂₅NO

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