2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)acetamide

Base Information

• Chemical Name: 2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)acetamide
• CAS No.: 4354-95-4
• Molecular Formula: C25H28N2O5S
• Molecular Weight: 468.5652
• DSSTox Substance ID: DTXSID90387453

Synonyms:4354-95-4;2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide;2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)acetamide;AG-690/15439321;CDS1_003764;CBMicro_011188;DivK1c_004804;DTXSID90387453;VXEQDUWQNLBTQW-UHFFFAOYSA-N;SMSF0017436;AKOS000611783;AKOS030484976;CB14625;BIM-0011175.P001

Chemical Property of 2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.238g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 468.17189317
• Heavy Atom Count: 33
• Complexity: 711

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)C2=CC=CC=C2)C3=C(C=C(C=C3)OC)OC

Technology Process of 2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)acetamide

There total 3 articles about 2-{2,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(1-phenylethyl)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:

diethyl benzyl(prop-2'-en-1'-yl)propanedioate (82044-44-8) → allyl-benzyl-malonic acid (4354-95-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01101a011

Reference yield:

ethanol (64-17-5) + diethyl benzyl(prop-2'-en-1'-yl)propanedioate (82044-44-8) → allyl-benzyl-malonic acid (4354-95-4)

Guidance literature:

Reference yield:

→ allyl-benzyl-malonic acid (4354-95-4)

Guidance literature:

Diethylallylmalonat, Benzylbromid;

DOI:10.1021/bi00735a008

upstream raw materials:

diethyl benzyl(prop-2'-en-1'-yl)propanedioate

ethanol

Downstream raw materials:

3-benzylpent-4-enoic acid

2-benzyl-4-pentenoic acid

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