N-butyl-4-fluorobenzenesulfonamide

Base Information

• Chemical Name: N-butyl-4-fluorobenzenesulfonamide
• CAS No.: 312-67-4
• Molecular Formula: C10H14FNO2S
• Molecular Weight: 231.291
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50366764
• Wikidata: Q82152157
• Mol file: 312-67-4.mol

Synonyms:N-butyl-4-fluorobenzenesulfonamide;312-67-4;N-BUTYL 4-FLUOROBENZENESULFONAMIDE;butyl[(4-fluorophenyl)sulfonyl]amine;SCHEMBL3277847;N-Butyl4-fluorobenzenesulfonamide;DTXSID50366764;MFCD01213077;N-n-butyl-4-fluorbenzene-sulfonamide;STL260626;AKOS001043975;N-butyl-4-fluoro-1-benzenesulfonamide;SB77173;BS-23727;CS-0211104;Z45516928

Chemical Property of N-butyl-4-fluorobenzenesulfonamide

Chemical Property:

• Melting Point: 45 °C
• Boiling Point: 323.0±44.0 °C(Predicted)
• PKA: 11.53±0.50(Predicted)
• PSA: 54.55000
• Density: 1.193±0.06 g/cm3(Predicted)
• LogP: 3.37580
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 231.07292802
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

N-Butyl4-fluorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNS(=O)(=O)C1=CC=C(C=C1)F
• Uses: N-Butyl 4-fluorobenzenesulfonamide

Technology Process of N-butyl-4-fluorobenzenesulfonamide

There total 2 articles about N-butyl-4-fluorobenzenesulfonamide 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: 66.2%

4-Fluorobenzenesulfonyl chloride (349-88-2) + N-butylamine (109-73-9,85404-21-3) → N-butyl-4-fluorobenzenesulfonamide (312-67-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1021/jacs.0c00648

Reference yield:

→ N-butyl-4-fluorobenzenesulfonamide (312-67-4)

Guidance literature:

/BRN= 3261751/;

Reference yield: 96.0%

2-bromo-N-(tert-butyl)cyclopropanecarboxamide (1158733-15-3) + N-butyl-4-fluorobenzenesulfonamide (312-67-4) → N-(tert-Butyl)-2-(N-butyl-4-fluorophenylsulfonamido)cyclopropanecarboxamide

Guidance literature:

With 18-crown-6 ether; potassium hydroxide; In tetrahydrofuran; at 85 ℃; for 12h; diastereoselective reaction;

DOI:10.1021/jo4011798

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

N-butylamine

Downstream raw materials:

N-butyl-N-(4-fluorophenylsulfonyl)methacrylamide

C₁₄H₁₉BrFNO₃S

methyl 4-(N-butyl-4-fluorophenylsulfonamido)benzoate

Refernces

• 1、 Brulet, Jeffrey W.,Borne, Adam L.,Yuan, Kun,Libby, Adam H.,Hsu, Ku-Lung. "Liganding Functional Tyrosine Sites on Proteins Using Sulfur-Triazole Exchange Chemistry". supporting information. p. 8270 - 8280. Retrieved 2020/05/25.