N-(2-Fluorophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(2-Fluorophenyl)methanesulfonamide
• CAS No.: 98611-90-6
• Molecular Formula: C7H8 F N O2 S
• Molecular Weight: 189.21
• Hs Code.: 2935009090
• European Community (EC) Number: 623-995-9
• DSSTox Substance ID: DTXSID50349936
• Nikkaji Number: J1.012.987G
• Wikidata: Q82125532
• Mol file: 98611-90-6.mol

Synonyms:N-(2-Fluorophenyl)methanesulfonamide;98611-90-6;SCHEMBL6897963;DTXSID50349936;DJLCKPRURZWUOU-UHFFFAOYSA-N;STK035732;AKOS000476878;N-(2-Fluorophenyl)methanesulfonamide, 98%;N-(2-Fluorophenyl)methanesulfonamide,98 %;CS-0223020;FT-0717965;EN300-113583;Z45639775;V6I

Chemical Property of N-(2-Fluorophenyl)methanesulfonamide

Chemical Property:

• Melting Point: 75-77 °C(lit.)
• PSA: 54.55000
• LogP: 2.35100
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.02597783
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(2-fluorophenyl)methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC=C1F

Technology Process of N-(2-Fluorophenyl)methanesulfonamide

There total 8 articles about N-(2-Fluorophenyl)methanesulfonamide 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: 98.0%

2-Fluoroaniline (348-54-9) + methanesulfonyl chloride (124-63-0) → N-(2-fluorophenyl)methanesulfonamide (98611-90-6)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c4cc04738a

Reference yield: 80.0%

methanesulfonamide (3144-09-0) + 1-Fluoro-2-iodobenzene (348-52-7) → N-(2-fluorophenyl)methanesulfonamide (98611-90-6)

Guidance literature:

With copper(I) oxide; caesium carbonate; In water; at 130 ℃; for 24h; Sealed tube;

DOI:10.1002/ejoc.201301561 DOI:10.1002/ejoc.201301561

Reference yield: 40.0%

N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide (88131-54-8) → N-(2-fluorophenyl)methanesulfonamide (98611-90-6)

Guidance literature:

With titanium tetrachloride; In chlorobenzene; at 132 ℃; Product distribution;

DOI:10.1021/jo00176a007

upstream raw materials:

N-phenylmethanesulfonamide

N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide

2-Fluoroaniline

methanesulfonyl chloride

Downstream raw materials:

N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide

N-benzoyl-N-(2-fluorophenyl)methanesulfonamide

N-benzyloxycarbonyl-N-(2-fluorophenyl)methanesulfonamide

N-phenylmethanesulfonamide