4-Butoxybenzenesulfonamide

Base Information

• Chemical Name: 4-Butoxybenzenesulfonamide
• CAS No.: 1138-58-5
• Molecular Formula: C10H15NO3S
• Molecular Weight: 229.3
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80365907
• Nikkaji Number: J409.573A
• Wikidata: Q82150942
• Pharos Ligand ID: 1CDLXMTRM3QR
• ChEMBL ID: CHEMBL1338403
• Mol file: 1138-58-5.mol

Synonyms:4-butoxybenzenesulfonamide;1138-58-5;4-(n-butoxy)benzenesulphonamide;4-butoxybenzene-1-sulfonamide;4-(n-Butoxy)benzenesulfonamide;CHEMBL1338403;Cambridge id 6990736;4-n-Butoxybenzenesulfonamide;MLS000099364;SCHEMBL615392;DTXSID80365907;GJCVWKPGGOMFQR-UHFFFAOYSA-N;HMS1790K12;HMS2367A19;BAA13858;BDBM50066133;MFCD00833414;AKOS001185702;PS-4368;SB80391;SMR000071512;CS-0313742;FT-0617932;1,3-DIHYDROXY-9-ACRIDINECARBOXYLICACID;EN300-7374657;SR-01000248257;SR-01000248257-1;F1084-0540;Z111778060

Chemical Property of 4-Butoxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.92E-06mmHg at 25°C
• Melting Point: 102-104 °C
• Refractive Index: 1.531
• Boiling Point: 381.9 °C at 760 mmHg
• Flash Point: 184.8 °C
• PSA: 77.77000
• Density: 1.194 g/cm³
• LogP: 3.29400
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.07726451
• Heavy Atom Count: 15
• Complexity: 263

Purity/Quality:

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

4-Butoxybenzenesulphonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)S(=O)(=O)N

Technology Process of 4-Butoxybenzenesulfonamide

There total 4 articles about 4-Butoxybenzenesulfonamide 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: 76.2%

4-butoxybenzene-sulfonyl chloride (1138-56-3) → 4-n-butoxybenzenesulfonamide (1138-58-5)

Guidance literature:

With ammonia; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1021/jm9607818

Reference yield: 67.0%

1-bromo-butane (109-65-9) + 4-hydroxybenzenesulphonamide (1576-43-8) → 4-n-butoxybenzenesulfonamide (1138-58-5)

Guidance literature:

4-hydroxybenzenesulphonamide; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;

1-bromo-butane; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2015.02.027

Reference yield:

4-butoxybenzene-sulfonyl chloride (1138-56-3) + methanolic ammonia → 4-n-butoxybenzenesulfonamide (1138-58-5)

Guidance literature:

In water;

upstream raw materials:

n-butyl phenyl ether

4-butoxybenzene-sulfonyl chloride

1-bromo-butane

4-hydroxybenzenesulphonamide

Downstream raw materials:

N-(4-butoxy-benzenesulfonyl)-N'-methyl-urea

N-(4-butoxy-benzenesulfonyl)-N'-propyl-urea

N-((4-butoxyphenyl)sulfonyl)-3',4'-dichloro-[1,1'-biphenyl]-3-carboxamide

5-((4-n-butoxybenzene)sulfonylcarbamoyl)-3-(2,4-dichlorobenzyl)-2-methylindole

Refernces

• 1、 Chern, Ji-Wang,Leu, Yu-Ling,Wang, Shan-Shue,Jou, Ruwen,Lee, Chin-Fen,Tsou, Pei-Chie,Hsu, Shih-Chung,Liaw, Yen-Chywan,Lin, Hua-Mei. "Synthesis and cytotoxic evaluation of substituted sulfonyl-n- hydroxyguanidine derivatives as potential antitumor agents". . p. 2276 - 2286. Retrieved 2007/10/03.
• 2、 -. "Acylsulfonamido- and sulfonamidopyridine-2-carboxylic acid esters and their pyridine N-oxides, processes for their preparation and their use as medicaments". . . Retrieved 2008/06/13.