4-Methoxybenzenesulfonamide

Base Information

• Chemical Name: 4-Methoxybenzenesulfonamide
• CAS No.: 1129-26-6
• Molecular Formula: C7H9NO3S
• Molecular Weight: 187.219
• Hs Code.: 29350090
• European Community (EC) Number: 846-091-8
• NSC Number: 73188
• DSSTox Substance ID: DTXSID90150200
• Nikkaji Number: J409.571E
• Wikidata: Q27462925
• ChEMBL ID: CHEMBL176402
• Mol file: 1129-26-6.mol

Synonyms:4-Methoxybenzenesulfonamide;1129-26-6;4-Methoxybenzenesulphonamide;p-Methoxybenzenesulfonamide;4-methoxybenzene-1-sulfonamide;Benzenesulfonamide, 4-methoxy-;4-Methoxy-benzenesulfonamide;Benzenesulfonamide, p-methoxy-;BRN 2047881;CHEMBL176402;Benzenesulfonamide, p-methoxy- (6CI,7CI,8CI);MFCD00025392;4-11-00-00588 (Beilstein Handbook Reference);3lka;M4S;MSB;NSC73188;4-methoxy benzenesulfonamide;Cambridge id 5104005;NCIOpen2_000639;Oprea1_798145;Oprea1_853502;SCHEMBL113508;4-methoxy-1-benzenesulfonamide;4-(methyloxy)benzenesulfonamide;DTXSID90150200;4-Methoxybenzenesulfonamide, 97%;AMY28220;BBL100180;BDBM50423780;NSC 73188;NSC-73188;STK236314;AKOS000139640;SDCCGMLS-0064577.P001;LS-31626;SY062063;CS-0136485;FT-0618914;EN300-26990;4C-033;A18082;C13911;J-002875;Q27462925;Z45415561

Chemical Property of 4-Methoxybenzenesulfonamide

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 3.89E-05mmHg at 25°C
• Melting Point: 111-115ºC
• Refractive Index: 1.552
• Boiling Point: 352.2 ºC at 760 mmHg
• PKA: 10.26±0.10(Predicted)
• Flash Point: 166.8 ºC
• PSA: 77.77000
• Density: 1.314 g/cm³
• LogP: 2.12370
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)N
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. 4-Methoxybenzenesulfonamide may be used in the preparation of S,S-dimethyl-N-p-methoxybenzenesulfonylsulfilimine. It may also be used as a ligand to generate novel bis-tetrahydrofuran–based human immunodeficiency virus (HIV) protease inhibitor.

Technology Process of 4-Methoxybenzenesulfonamide

There total 50 articles about 4-Methoxybenzenesulfonamide 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%

C13H12Cl6N2O7S (473935-65-8) → 4-methoxybenzene sulfonamide (1129-26-6)

Guidance literature:

With acetone; zinc; In acetic acid; at 25 ℃; for 2.5h;

DOI:10.1016/S0040-4039(02)00848-1

Reference yield: 95.0%

N-(4-methoxyphenylsulfonyl)-N-(tert-butyl)amine (106555-68-4) → 4-methoxybenzene sulfonamide (1129-26-6)

Guidance literature:

With boron trichloride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)01020-7

Reference yield: 92.0%

methyl 3-((4-methoxyphenyl)sulfonyl)propanoate → 4-methoxybenzene sulfonamide (1129-26-6)

Guidance literature:

methyl 3-((4-methoxyphenyl)sulfonyl)propanoate; With sodium methylate; In methanol; dimethyl sulfoxide; at 20 ℃; for 0.25h;

With sodium acetate; hydroxylamine-O-sulfonic acid; In water; at 20 ℃; for 16h;

DOI:10.1016/S0040-4039(02)02073-7

upstream raw materials:

4-methoxybenzene-1-sulfonyl fluoride

methoxybenzene

4-hydroxybenzenesulphonamide

dimethyl sulfate

Downstream raw materials:

diisopropylamine

N-benzylidene-4-methoxy-benzenesulfonamide

N-[1-Ethoxy-meth-(E)-ylidene]-4-methoxy-benzenesulfonamide

N-(p-Methoxyphenylsulfonyl)glycine ethyl ester

Refernces

• 1、 Davis,F.A.,Nadir,U.K.. "-". . p. 1721 - 1724. Retrieved 1977.
• 2、 Hayashi, Eri,Yamaguchi, Yui,Kita, Yusuke,Kamata, Keigo,Hara, Michikazu. "One-pot aerobic oxidative sulfonamidation of aromatic thiols with ammonia by a dual-functional β-MnO2 nanocatalyst". . p. 2095 - 2098. Retrieved 2020.
• 3、 Zheng, Yang,Liu, Bin,Gou, Zhaopin,Li, Yao,Zhang, Xiao,Wang, Yanqing,Yu, Shujing,Li, Yonghong,Sun, Dequn. "Design of novel CSA analogues as potential safeners and fungicides". . p. 791 - 794. Retrieved 2015.
• 4、 Chardin,Durand,Jarsalé,Rouden,Livi,Baudoux. "Sulfonimidesversusketosulfonamides as epoxidized imidazolium counterions: Towards a new generation of ionic liquid monomers". . p. 2953 - 2957. Retrieved 2021.
• 5、 Huang, Horng-Chih,Reinhard, Emily J.,Reitz, David B.. "A Novel One-Pot Conversion of Methyl Sulfones to Sulfonamides". . p. 7201 - 7204. Retrieved 1994.
• 6、 Andrews, Charlotte L.,Cardozo, Joaquin M.,Chow, Alyssa S.,Crainic, Jennifer A.,Parsons, William H.,Rutland, Nicholas T.,Sheehan, Brendan K.. "Development of succinimide-based inhibitors for the mitochondrial rhomboid protease PARL". supporting information. . Retrieved 2021/08/04.