3-[(4-Methoxyphenyl)carbamothioylsulfanyl]propanoic acid

Base Information

• Chemical Name: 3-[(4-Methoxyphenyl)carbamothioylsulfanyl]propanoic acid
• CAS No.: 4240-95-3
• Molecular Formula: C₁₁H₁₃NO₃S₂
• Molecular Weight: 271.361
• NSC Number: 41546
• DSSTox Substance ID: DTXSID80397243
• Mol file: 4240-95-3.mol

Synonyms:4240-95-3;NSC41546;3-[(4-methoxyphenyl)carbamothioylsulfanyl]propanoic acid;DTXSID80397243;NSC-41546

Chemical Property of 3-[(4-Methoxyphenyl)carbamothioylsulfanyl]propanoic acid

Chemical Property:

• Vapor Pressure: 7.72E-09mmHg at 25°C
• Boiling Point: 448.8°Cat760mmHg
• Flash Point: 225.2°C
• Density: 1.384g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 271.03368562
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)SCCC(=O)O

Technology Process of 3-[(4-Methoxyphenyl)carbamothioylsulfanyl]propanoic acid

There total 2 articles about 3-[(4-Methoxyphenyl)carbamothioylsulfanyl]propanoic acid 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:

β-Propiolactone (57-57-8) → 3-[(4-methoxy-phenyl)-thiocarbamoylsulfanyl]-propionic acid (4240-95-3)

Guidance literature:

DOI:10.1002/ardp.19612940605

Reference yield:

→ 3-[(4-methoxy-phenyl)-thiocarbamoylsulfanyl]-propionic acid (4240-95-3)

Guidance literature:

CS2, 1) p-Methoxyanilin, KOH, 2) β-Chlorpropionsaeure,W.;

Reference yield:

3-[(4-methoxy-phenyl)-thiocarbamoylsulfanyl]-propionic acid (4240-95-3) → Tetrahydro-3-(4-methoxyphenyl)-2-thioxo-4H-1,3-thiazin-4-on (79457-80-0)

Guidance literature:

With sulfuric acid; acetic anhydride; at 50 ℃;

upstream raw materials:

β-Propiolactone

Downstream raw materials:

Tetrahydro-3-(4-methoxyphenyl)-2-thioxo-4H-1,3-thiazin-4-on

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