3-amino-N-benzylbenzenesulfonamide

Base Information

• Chemical Name: 3-amino-N-benzylbenzenesulfonamide
• CAS No.: 303780-52-1
• Molecular Formula: C13H14 N2 O2 S
• Molecular Weight: 262.332
• Hs Code.: 2935009090
• European Community (EC) Number: 807-079-8
• DSSTox Substance ID: DTXSID20428409
• Nikkaji Number: J1.365.588J
• Wikidata: Q82241240
• Mol file: 303780-52-1.mol

Synonyms:3-amino-N-benzylbenzenesulfonamide;303780-52-1;N-Benzyl 3-Aminobenzenesulfonamide;N-benzyl-3-Aminobenzenesulfonamide;SCHEMBL5032445;DTXSID20428409;BUBJRDZLVJJKLT-UHFFFAOYSA-N;3-amino-N-benzyl-benzenesulfonamide;MFCD07363817;AKOS000159508;AB30828;BS-22261;CS-0213118;A876207;Z285214378

Chemical Property of 3-amino-N-benzylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.59E-09mmHg at 25°C
• Melting Point: 58-62°C
• Boiling Point: 484.1°Cat760mmHg
• PKA: 11.52±0.30(Predicted)
• Flash Point: 246.6°C
• PSA: 80.57000
• Density: 1.292g/cm³
• LogP: 3.80020
• Storage Temp.: Keep cold
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.07759887
• Heavy Atom Count: 18
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-n-benzylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)N

Technology Process of 3-amino-N-benzylbenzenesulfonamide

There total 7 articles about 3-amino-N-benzylbenzenesulfonamide 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: 83.0%

m-aminobenzenesulfonamide (98-18-0) + benzyl alcohol (100-51-6,185532-71-2) → N-(3-aminophenylsulfonyl)benzylamine (303780-52-1)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; caesium carbonate; In tert-Amyl alcohol; at 120 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b00824

Reference yield: 79.0%

3-nitro-N-(phenylmethyl)benzenesulfonamide (35763-21-4) → N-(3-aminophenylsulfonyl)benzylamine (303780-52-1)

Guidance literature:

With iron; iron(II) sulfate; In water; Reflux;

DOI:10.1002/ardp.200700125

Reference yield: 62.0%

→ N-(3-aminophenylsulfonyl)benzylamine (303780-52-1)

Guidance literature:

With iron(III) chloride; potassium carbonate; copper(l) chloride; In N,N-dimethyl-formamide; at 120 ℃; for 0.5h; Microwave irradiation; Green chemistry;

upstream raw materials:

3-nitro-N-(phenylmethyl)benzenesulfonamide

benzylamine

3-nitrobenzenesulphonyl chloride

m-aminobenzenesulfonamide

Downstream raw materials:

2-chloro-N-[3-(benzylaminyl-1-sulfonyl)phenyl]acetamide

N-benzyl-3-[3-(3-cyano-phenyl)-ureido]-benzenesulfonamide

N-benzyl-3-[3-(4-cyano-phenyl)-ureido]-benzenesulfonamide

Refernces

• 1、 -. "ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE". Page/Page column 96; 97. . Retrieved 2018/07/29.
• 2、 -. "Amino-(N-alkyl) benzsulfamide synthesis method". Paragraph 0146-0149. . Retrieved 2017/04/14.