3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid

Base Information

• Chemical Name: 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid
• CAS No.: 6736-42-1
• Molecular Formula: C6H6N2O2S
• Molecular Weight: 170.192
• DSSTox Substance ID: DTXSID30408515
• Mol file: 6736-42-1.mol

Synonyms:AC1NOTCJ;6736-42-1;SCHEMBL9129568;DTXSID30408515

Chemical Property of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 257

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=S)N1)C=CC(=O)O

Technology Process of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid

There total 1 articles about 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic 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:

→ 3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-acrylic acid (6736-42-1) + trimethylamine (75-50-3)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/CT9119902336

Reference yield:

3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-acrylic acid (6736-42-1) → 3-(imidazol-4-yl)propionic acid (1074-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O; sodium-amalgam; acetic acid

2: aqueous H₂O₂

With sodium amalgam; water; dihydrogen peroxide; acetic acid;

Reference yield:

3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-acrylic acid (6736-42-1) → 3-(1(3)H-imidazol-4-yl)-propionic acid hydrazide (113872-16-5)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂O; sodium-amalgam; acetic acid

2: aqueous H₂O₂

3: ethanolic HCl

4: H₂O; N₂H₄+H₂O

With hydrogenchloride; sodium amalgam; water; dihydrogen peroxide; hydrazine hydrate; acetic acid;

Downstream raw materials:

3-(imidazol-4-yl)propionic acid

ethyl 3-(imidazol-4'-yl)-propanoate

3-(1(3)H-imidazol-4-yl)-propionic acid hydrazide