N-n-Butylbenzenesulfonamide

Base Information

• Chemical Name: N-n-Butylbenzenesulfonamide
• CAS No.: 3622-84-2
• Deprecated CAS: 1028684-14-1,2102595-95-7
• Molecular Formula: C10H15NO2S
• Molecular Weight: 213.301
• Hs Code.: 29350090
• European Community (EC) Number: 222-823-6
• NSC Number: 3536
• UNII: YO7UAW6717
• DSSTox Substance ID: DTXSID7027540
• Nikkaji Number: J62.171D
• Wikidata: Q14853448
• Metabolomics Workbench ID: 106861
• ChEMBL ID: CHEMBL479880
• Mol file: 3622-84-2.mol

Synonyms:AK 551;BBSA;BM 4 (sulfonamide);Cetamoll BMB;Dellatol BBS;N-(n-Butyl)benzenesulfonamide;NSC 3536;PlasthallBSA;Plastomoll BMB;Topcizer 7;Uniplex 214;BM 4;N-Butyl-benzenesulfonamide;

Chemical Property of N-n-Butylbenzenesulfonamide

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 0.35 mm Hg ( 150 °C)
• Melting Point: -30oC
• Refractive Index: 1.525
• Boiling Point: 326.7 °C at 760 mmHg
• PKA: 11.62±0.40(Predicted)
• Flash Point: 151.4 °C
• PSA: 54.55000
• Density: 1.125 g/cm³
• LogP: 3.23670
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 450mg/L at 20℃
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

N-Butylbenzenesulfonamide-d9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-52/53-48/21/22
• Safety Statements: 26-36-61-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Sulfonamides
• Canonical SMILES: CCCCNS(=O)(=O)C1=CC=CC=C1
• Uses: N-n-Butyl benzene sulfonamide is a kind of excellent polyamide resin & cellulose class of liquid plasticizer, mainly as a plasticizer to be used in nylon plastic, and also can be used for hot melt adhesives, rubber latex adhesives, printing ink and surface coating. N-Butylbenzenesulfonamide, is the labeled analogue of N-Butylbenzenesulfonamide, which is a plasticizer used commercially in the polymerization of polyamide compounds.

Technology Process of N-n-Butylbenzenesulfonamide

There total 23 articles about N-n-Butylbenzenesulfonamide 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%

N-butylamine (109-73-9,85404-21-3) + benzenesulfonyl chloride (98-09-9) → N-butylbenzenesulfonamide (3622-84-2)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; pH=10.2;

DOI:10.1139/v05-154

Reference yield: 97.6%

N-butylamine (109-73-9,85404-21-3) → N-butylbenzenesulfonamide (3622-84-2)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 13.5h; Inert atmosphere;

DOI:10.1021/cc900162w

Reference yield: 93.0%

N-butylbenzenesulfinamide (6829-66-9) → N-butylbenzenesulfonamide (3622-84-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2011.02.060

upstream raw materials:

N-butylamine

benzenesulfonyl chloride

N-(phenylthio)-N-(normal-butyl)amine

benzene

Downstream raw materials:

C₁₂H₁₆BrNO₃S

N-butyl-2,2-dichloro-N-(phenylsulfonyl)acetamide

N-butyl-N-(2,2,2-trichloroacetyl)benzenesulfonamide

N-butyl-2-chlorobenzenesulfonamide

Refernces

• 1、 Antonietti, Markus,Guldi, Dirk M.,Markushyna, Yevheniia,Savateev, Aleksandr,Schü?lbauer, Christoph M.,Ullrich, Tobias. "Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst". supporting information. p. 20543 - 20550. Retrieved 2021/08/12.
• 2、 -. "Solid-phase synthesis method of N-butylbenzenesulfonamide". Paragraph 0021-0035. . Retrieved 2020/04/17.