Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-

Base Information

• Chemical Name: Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-
• CAS No.: 5804-73-9
• Molecular Formula: C9H10 Cl N O4 S
• Molecular Weight: 263.702
• Hs Code.: 2924299090
• European Community (EC) Number: 227-358-2
• NSC Number: 160918
• UNII: 0F3N8S2E4P
• DSSTox Substance ID: DTXSID9064007
• Nikkaji Number: J28.771G
• Wikidata: Q72434621
• Mol file: 5804-73-9.mol

Synonyms:5804-73-9;Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-;5-ACETYLAMINO-2-METHOXYBENZENESULFONYL CHLORIDE;5-(acetylamino)-2-methoxybenzenesulfonyl chloride;5-acetamido-2-methoxybenzenesulfonyl chloride;5-acetamido-2-methoxybenzene-1-sulfonyl chloride;Metanilyl chloride, N-acetyl-6-methoxy-;0F3N8S2E4P;5-Acetamido-2-methoxybenzenesulphonyl chloride;Benzenesulfonyl chloride, 5-acetamido-2-methoxy-;EINECS 227-358-2;N-Acetyl-6-methoxymetanilyl chloride;MFCD06654939;NSC 160918;NSC-160918;3-acetamido-6-methoxyphenylsulfonyl chloride;5-Acetylamino-2-methoxy-benzenesulfonyl chloride;UNII-0F3N8S2E4P;DTXSID9064007;SCHEMBL11481936;NSC160918;STL301403;AKOS000200966;BS-38197;A8248;CS-0220329;FT-0683849;EN300-06378;Q-102055

Chemical Property of Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-

Chemical Property:

• Vapor Pressure: 2.86E-09mmHg at 25°C
• Melting Point: 149-151 °C
• Boiling Point: 477.2 °C at 760 mmHg
• PKA: 13.49±0.70(Predicted)
• Flash Point: 242.4 °C
• PSA: 80.85000
• Density: 1.439 g/cm³
• LogP: 2.73490
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.0019067
• Heavy Atom Count: 16
• Complexity: 351

Purity/Quality:

99%, ^*data from raw suppliers

5-(Acetylamino)-2-methoxybenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)Cl

Technology Process of Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-

There total 4 articles about Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy- 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:

4-methoxyacetanilide (51-66-1) → 5-acetamido-2-methoxybenzene-1-sulfonyl chloride (5804-73-9)

Guidance literature:

With chlorosulfonic acid; sulfuric acid; sulfur trioxide;

DOI:10.1039/j39660000873

Reference yield:

4-methoxy-aniline (104-94-9) → 5-acetamido-2-methoxybenzene-1-sulfonyl chloride (5804-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 20 °C

2: chlorosulfonic acid / 2.5 h / 0 - 20 °C

With chlorosulfonic acid;

DOI:10.1007/s00706-016-1847-y

Reference yield:

acetic anhydride (108-24-7) + 4-methoxy-aniline (104-94-9) → 5-acetamido-2-methoxybenzene-1-sulfonyl chloride (5804-73-9)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1016/j.molstruc.2017.06.003

upstream raw materials:

4-methoxyacetanilide

4-methoxy-aniline

acetic anhydride

Downstream raw materials:

(S)-2-(5-Acetylamino-2-methoxy-benzenesulfonylamino)-3-methyl-butyric acid

C₁₃H₁₃ClN₂O₃S

2-(5-Acetamino-2-methoxy-phenylsulfonylmethyl)-4-nitro-1-octyloxy-benzol

3-<5-Acetamino-2-methoxy-phenylsulfonylmethyl>-4-octyloxy-anilin

Refernces

• 1、 Aminarshad, Farzaneh,Heidari, Shima,Massah, Ahmad Reza,Mostajeran, Neda. "Design, solvent-free synthesis and antibacterial activity evaluation of new coumarin sulfonamides". . . Retrieved 2021/08/16.
• 2、 Beheshti-Maal,Khazaeili,Asakere,Mousavi,Massah. "Synthesis of some novel sulfonamide-imines as potential antimicrobial agents". . p. 111 - 117. Retrieved 2018/03/05.