Phenylmethanesulfonamide

Base Information

• Chemical Name: Phenylmethanesulfonamide
• CAS No.: 4563-33-1
• Molecular Formula: C7H9 N O2 S
• Molecular Weight: 171.22
• Hs Code.: 2935009090
• European Community (EC) Number: 224-935-0
• NSC Number: 28899
• UNII: 23VQ7K2YL2
• DSSTox Substance ID: DTXSID0063525
• Nikkaji Number: J297.818K
• Pharos Ligand ID: Z7WLV6Q3YX74
• ChEMBL ID: CHEMBL369953
• Mol file: 4563-33-1.mol

Synonyms:Phenylmethanesulfonamide;4563-33-1;Benzenemethanesulfonamide;alpha-Toluenesulfonamide;Benzylsulfonamide;Methanesulfonamide, 1-phenyl-;Toluene-alpha-sulphonamide;.alpha.-Toluenesulfonamide;a-toluenesulfonamide;1-phenylmethanesulfonamide;MFCD00041893;Toluene-.omega.-sulfonamide;23VQ7K2YL2;CHEMBL369953;EINECS 224-935-0;NSC 28899;NSC-28899;benzyl-sulfonamide;NSC28899;alphatoluenesulfonamide;phenylmethansulfonamide;alpha-Toulenesulfonamide;1-phenylmethylsulfonamid;phenyl-methanesulfonamide;phenylmethane sulfonamide;alpha-toluene sulfonamide;alpha -Toluenesulfonamide;Toluenesulfonamide, alpha-;1-phenylmethane sulfonamide;D07SIA;SCHEMBL7371;1-(phenyl)methanesulfonamide;1-phenyl-methane sulfonamide;UNII-23VQ7K2YL2;Oprea1_735595;ALPHA-TOLUENESULPHONAMIDE;TOLUENE-ALPHA-SULFONAMIDE;DTXSID0063525;HMS1788O16;BDBM50175005;STK980456;AKOS000142067;CS-W005788;DS-2354;AC-22755;SY048725;B3466;FT-0635362;EN300-26996;VU0611281-1;A826865;J-519680;Z89268868;F3334-0812

Chemical Property of Phenylmethanesulfonamide

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 7.22E-05mmHg at 25°C
• Melting Point: 103-105 ºC
• Refractive Index: 1.586
• Boiling Point: 343.1 ºC at 760 mmHg
• PKA: 10.69±0.60(Predicted)
• Flash Point: 161.3 ºC
• PSA: 68.54000
• Density: 1.312 g/cm³
• LogP: 2.25620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 199

Purity/Quality:

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

Benzylsulfonamide >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)N

Technology Process of Phenylmethanesulfonamide

There total 29 articles about Phenylmethanesulfonamide 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: 99.0%

phenylmethanethiol (100-53-8) → phenyl-methanesulfonic acid amide (4563-33-1)

Guidance literature:

phenylmethanethiol; With dihydrogen peroxide; zirconium(IV) chloride; In acetonitrile; at 25 ℃;

With pyridine; ammonia; In acetonitrile; at 25 ℃; for 0.05h; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.07.056

Reference yield: 99.0%

dibenzyl disulphide (150-60-7) → phenyl-methanesulfonic acid amide (4563-33-1)

Guidance literature:

dibenzyl disulphide; With dihydrogen peroxide; zirconium(IV) chloride; In acetonitrile; at 25 ℃;

With pyridine; ammonia; In acetonitrile; at 25 ℃; for 0.0166667h; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.07.056

Reference yield: 93.0%

O-mesitylenesulfonylhydroxylamine (MSH) + n-Octylamine (111-86-4) + benzenesulfonyl chloride (1939-99-7) → phenyl-methanesulfonic acid amide (4563-33-1)

Guidance literature:

With 4-methyl-morpholine; In sulfonyl imine; dichloromethane; ethyl acetate;

upstream raw materials:

para-xylene

benzylsulfonyl azide

phenylmethanesulfinamide

N,N-dimethyl-aniline

Downstream raw materials:

phenyl-methanesulfonic acid-(trichlorophosphoranyliden-amide)

iodomethylbenzene

N-allyl-N'-phenylmethanesulfonyl-thiourea

(-)-Camphor N-(benzylsulfonyl)imine

Refernces

• 1、 Davies, Thomas Q.,Hall, Adrian,Skolc, David,Tilby, Michael J.,Willis, Michael C.. "Primary Sulfonamide Synthesis Using the Sulfinylamine Reagent N-Sulfinyl- O-(tert-butyl)hydroxylamine, t-BuONSO". supporting information. p. 9495 - 9499. Retrieved 2020/12/21.
• 2、 Nan, Xiang,Jiang, Yi-Fan,Li, Hui-Jing,Wang, Jun-Hu,Wu, Yan-Chao. "Design, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors". . p. 2801 - 2812. Retrieved 2019/05/15.