5-Bromo-2-methoxybenzenesulfonamide

Base Information

• Chemical Name: 5-Bromo-2-methoxybenzenesulfonamide
• CAS No.: 23095-14-9
• Molecular Formula: C7H8 Br N O3 S
• Molecular Weight: 266.115
• Hs Code.: 2935009090
• European Community (EC) Number: 812-611-7
• DSSTox Substance ID: DTXSID00429136
• Wikidata: Q82242068
• Mol file: 23095-14-9.mol

Synonyms:5-bromo-2-methoxybenzenesulfonamide;23095-14-9;5-Bromo-2-methoxybenzenesulphonamide;5-bromo-2-methoxybenzene-1-sulfonamide;Benzenesulfonamide,5-bromo-2-methoxy-;SCHEMBL1137871;DTXSID00429136;WHYIIAFUVXCXIL-UHFFFAOYSA-N;GS0441;MFCD06808831;AKOS005139262;PS-6204;CS-0139629;EN300-85766;F82770;5-Bromo-2-methoxybenzenesulfonamide, AldrichCPR;A849938;Z45415652

Chemical Property of 5-Bromo-2-methoxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 151-153
• Boiling Point: 420.3°Cat760mmHg
• PKA: 9.76±0.60(Predicted)
• Flash Point: 208°C
• PSA: 77.77000
• Density: 1.678g/cm³
• LogP: 2.88620
• Storage Temp.: Keep Cold
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.94083
• Heavy Atom Count: 13
• Complexity: 261

Purity/Quality:

95-99% ^*data from raw suppliers

5-Bromo-2-methoxybenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)N

Technology Process of 5-Bromo-2-methoxybenzenesulfonamide

There total 4 articles about 5-Bromo-2-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: 93.0%

5-bromo-2-methoxybenzenesulfonyl chloride (23095-05-8) → 5-bromo-2-methoxybenzenesulfonamide (23095-14-9)

Guidance literature:

With ammonium hydroxide; In acetonitrile; at 0 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.7b02985

Reference yield: 93.0%

5-bromo-N-isopropyl-2-methoxy-benzenesulfonamide (778592-06-6) → 5-bromo-2-methoxybenzenesulfonamide (23095-14-9)

Guidance literature:

With chromium(III) acetate hydroxide; periodic acid; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1055/s-2004-830851

Reference yield:

ammonium hydroxide (1336-21-6) + 5-bromo-2-methoxybenzenesulfonyl chloride (23095-05-8) → 5-bromo-2-methoxybenzenesulfonamide (23095-14-9)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

1-bromo-4-methoxy-benzene

5-bromo-2-methoxybenzenesulfonyl chloride

5-bromo-N-isopropyl-2-methoxy-benzenesulfonamide

ammonium hydroxide

Refernces

• 1、 Fomovska, Alina,Huang, Qingqing,El Bissati, Kamal,Mui, Ernest J.,Witola, William H.,Cheng, Gang,Zhou, Ying,Sommerville, Caroline,Roberts, Craig W.,Bettis, Sam,Prigge, Sean T.,Afanador, Gustavo A.,Hickman, Mark R.,Lee, Patty J.,Leed, Susan E.,Auschwitz, Jennifer M.,Pieroni, Marco,Stec, Jozef,Muench, Stephen P.,Rice, David W.,Kozikowski, Alan P.,McLeod, Rima. "Novel N-benzoyl-2-hydroxybenzamide disrupts unique parasite secretory pathway". experimental part. p. 2666 - 2682. Retrieved 2012/08/27.
• 2、 -. "Carboxylic acids and acylsulfonamides, compositions containing such compounds and methods of treatment". . . Retrieved 2008/06/13.