p-Butylsulphonylacetanilide

Base Information

• Chemical Name: p-Butylsulphonylacetanilide
• CAS No.: 6305-64-2
• Molecular Formula: C12H17 N O3 S
• Molecular Weight: 255.338
• Hs Code.: 2924299090
• NSC Number: 41170
• DSSTox Substance ID: DTXSID00978992
• Wikidata: Q82964493
• Mol file: 6305-64-2.mol

Synonyms:6305-64-2;p-butylsulphonylacetanilide;NSC41170;SCHEMBL11601090;DTXSID00978992;NSC-41170;N-[4-(Butane-1-sulfonyl)phenyl]ethanimidic acid

Chemical Property of p-Butylsulphonylacetanilide

Chemical Property:

• Vapor Pressure: 1.11E-09mmHg at 25°C
• Boiling Point: 488.2°C at 760 mmHg
• Flash Point: 249.1°C
• PSA: 71.62000
• Density: 1.194g/cm³
• LogP: 3.37260
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 255.09291458
• Heavy Atom Count: 17
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Technology Process of p-Butylsulphonylacetanilide

There total 5 articles about p-Butylsulphonylacetanilide 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: 65.0%

1-bromo-butane (109-65-9) + 4-Acetamido-1-iodobenzene (622-50-4) → 4-(Butylsulfonyl)acetanilid (6305-64-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; sodium metabisulfite; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tin; potassium hydrogenphosphate trihydrate; tetrabutylammomium bromide; In dimethyl sulfoxide; at 100 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201911449

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-(Butylsulfonyl)acetanilid (6305-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂SO₃, 30percent NaOH / H₂O / 2 h / 50 °C

2: 184.6 g / ethanol; H₂O / 24 h / Heating

With sodium hydroxide; sodium sulfite; In ethanol; water;

DOI:10.1002/hlca.19830660407

Reference yield:

1-iodo-butane (542-69-8) + sodium 4-acetamidobenzenesulfinate (15898-43-8) → 4-(Butylsulfonyl)acetanilid (6305-64-2)

Guidance literature:

With ethanol;

upstream raw materials:

1-bromo-butane

sodium 4-acetamidobenzenesulfinate

1-iodo-butane

4-acetamidobenzenesulfinic acid

Downstream raw materials:

(4-Aminophenyl)-butyl-sulfon

Refernces

• 1、 -. "Aryl alkyl sulfone compound and reducing coupling method for constructing sulfone compounds". Paragraph 0072-0076. . Retrieved 2019/12/25.