N-(4-Ethoxyphenyl)thioacetamide

Base Information

• Chemical Name: N-(4-Ethoxyphenyl)thioacetamide
• CAS No.: 5310-19-0
• Molecular Formula: C10H13NOS
• Molecular Weight: 266.2482
• NSC Number: 402537
• DSSTox Substance ID: DTXSID00967624
• Nikkaji Number: J1.928.335F
• Mol file: 5310-19-0.mol

Synonyms:5310-19-0;NSC402537;N-(4-Ethoxyphenyl)thioacetamide;DTXSID00967624;NSC-402537;N-(4-Ethoxyphenyl)ethanimidothioic acid

Chemical Property of N-(4-Ethoxyphenyl)thioacetamide

Chemical Property:

• Vapor Pressure: 1.33E-09mmHg at 25°C
• Boiling Point: 486.2°C at 760 mmHg
• Flash Point: 239.4°C
• Density: 1.369g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.07178521
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)C

Technology Process of N-(4-Ethoxyphenyl)thioacetamide

There total 7 articles about N-(4-Ethoxyphenyl)thioacetamide 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: 65.0%

1-ethoxy-4-isothiocyanatobenzene (3460-49-9) + 1,1-dibromomethane (74-95-3) → N-(4-ethoxyphenyl)ethanethioamide (5310-19-0) + 4-ethoxy-N-[(2Z)-2-thietanylidene]aniline

Guidance literature:

With methyllithium lithium bromide; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.0833333h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.202110641

Reference yield:

2-acetyl-N-(4-ethoxy-phenyl)-3-thio-malonamic acid ethyl ester (861356-75-4) → N-(4-ethoxyphenyl)ethanethioamide (5310-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: beim Schmelzen

With sodium hydroxide;

Reference yield:

4-ethoxyacetanilide (62-44-2,105931-34-8) → N-(4-ethoxyphenyl)ethanethioamide (5310-19-0)

Guidance literature:

With phosphorous (V) sulfide; at 100 ℃;

upstream raw materials:

4-ethoxyacetanilide

N-(4-ethoxy-phenyl)-3-thio-malonamic acid

methyl magnesium iodide

1-ethoxy-4-isothiocyanatobenzene

Downstream raw materials:

6-Ethoxy-2-methyl-benzothiazol

Refernces