N-(Phenylsulfonylmethyl)formamide

Base Information

• Chemical Name: N-(Phenylsulfonylmethyl)formamide
• CAS No.: 28918-58-3
• Molecular Formula: C8H9 N O3 S
• Molecular Weight: 199.23
• DSSTox Substance ID: DTXSID80600643
• Wikidata: Q82496821
• Mol file: 28918-58-3.mol

Synonyms:N-(PHENYLSULFONYLMETHYL)FORMAMIDE;28918-58-3;N-(benzenesulfonylmethyl)formamide;N-[(Benzenesulfonyl)methyl]formamide;SCHEMBL8940894;DTXSID80600643;AKOS006287890

Chemical Property of N-(Phenylsulfonylmethyl)formamide

Chemical Property:

• Vapor Pressure: 8.78E-10mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 490.9°C at 760 mmHg
• Flash Point: 250.7°C
• PSA: 71.62000
• Density: 1.294g/cm³
• LogP: 2.27140
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.03031432
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

N-(PHENYLSULFONYLMETHYL)FORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CNC=O

Technology Process of N-(Phenylsulfonylmethyl)formamide

There total 4 articles about N-(Phenylsulfonylmethyl)formamide 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + methyl benzenesulfinate (670-98-4) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-(phenylsulfonylmethyl)formamide (28918-58-3)

Guidance literature:

In formic acid; toluene; at 100 ℃; for 3h; Inert atmosphere; Microwave irradiation;

DOI:10.1002/ejoc.201403615

Reference yield:

thiophenol (108-98-5) → N-(phenylsulfonylmethyl)formamide (28918-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / dichloromethane / 1 h / 0 °C

2: formic acid; toluene / 3 h / 100 °C / Inert atmosphere; Microwave irradiation

With N-Bromosuccinimide; In formic acid; dichloromethane; toluene;

DOI:10.1002/ejoc.201403615

Reference yield:

sodium benzenesulfonate (873-55-2) + formylaminomethyl trimethylammonium bromide → N-(phenylsulfonylmethyl)formamide (28918-58-3)

Guidance literature:

In acetonitrile; Heating;

upstream raw materials:

sodium benzenesulfonate

formaldehyd

formamide

Benzenesulfinic acid

Downstream raw materials:

2-(phenylsulfonyl)acetonitrile

((isocyanomethyl)sulfonyl)benzene