2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

Base Information

• Chemical Name: 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
• CAS No.: 6221-21-2
• Molecular Formula: C21H27N3O6S
• Molecular Weight: 449.5206
• DSSTox Substance ID: DTXSID70387476
• Wikidata: Q82181720
• ChEMBL ID: CHEMBL1366323
• Mol file: 6221-21-2.mol

Synonyms:6221-21-2;SMR000107544;2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide;MLS000111622;MLS002540452;CHEMBL1366323;DTXSID70387476;HMS2408J20;AKOS000614686;AB00440633-08

Chemical Property of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

Chemical Property:

• Density: 1.288g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 449.16205676
• Heavy Atom Count: 31
• Complexity: 665

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCOC)C2=CC=C(C=C2)OC

Technology Process of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

There total 4 articles about 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide 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: 89.0%

vinyl magnesium bromide (1826-67-1) + inden-1-one (83-33-0) → 1-vinyl-1-indanol (6221-21-2)

Guidance literature:

In tetrahydrofuran; benzene; for 17h;

DOI:10.1021/ja00196a004

Reference yield:

Vinyl bromide (593-60-2,25951-54-6) + inden-1-one (83-33-0) → 1-vinyl-1-indanol (6221-21-2)

Guidance literature:

With magnesium; iodine; Yield given. Multistep reaction; 1.) THF, rt, 1.5 h; 2.) THF, rt, 12 h;

DOI:10.1016/S0040-4020(01)88540-9

Reference yield:

vinylmagnesium chloride (3536-96-7) + inden-1-one (83-33-0) → 1-vinyl-1-indanol (6221-21-2)

Guidance literature:

In diethyl ether; at -10 - 20 ℃;

upstream raw materials:

vinylmagnesium chloride

inden-1-one

Vinyl bromide

vinyl magnesium bromide

Downstream raw materials:

1-Bromo-1-phenyl-1,2,3,8-tetrahydro-indeno[2,1-b]phospholium; bromide

1-Bromo-1-phenyl-1,2,8,8a-tetrahydro-indeno[2,1-b]phospholium; bromide

8-ethoxy-1,2,3,3a,8,8a-hexahydro-3a-hydroxy-1-phenylindeno<2,1-b>phosphole 1-oxide

8a-bromo-1,2,3,3a,8,8a-hexahydro-3a-hydroxy-1-phenylindeno<2,1-b>phosphole 1-oxide