Qnfngglsmudjkn-uhfffaoysa-

Base Information

Chemical Name:Qnfngglsmudjkn-uhfffaoysa-
CAS No.:252882-62-5
Molecular Formula:C12H11N3OS
Molecular Weight:245.305
Hs Code.:
DSSTox Substance ID:DTXSID801136751

Synonyms:252882-62-5;SCHEMBL7195630;QNFNGGLSMUDJKN-UHFFFAOYSA-;DTXSID801136751;4-[[2,3-Dihydro-5-(hydroxymethyl)-2-thioxo-1H-imidazol-1-yl]methyl]benzonitrile;InChI=1/C12H11N3OS/c13-5-9-1-3-10(4-2-9)7-15-11(8-16)6-14-12(15)17/h1-4,6,16H,7-8H2,(H,14,17)

Suppliers and Price of Qnfngglsmudjkn-uhfffaoysa-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Qnfngglsmudjkn-uhfffaoysa-

Chemical Property:

XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.06228316
Heavy Atom Count:17
Complexity:377

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN2C(=CNC2=S)CO)C#N

Technology Process of Qnfngglsmudjkn-uhfffaoysa-

There total 4 articles about Qnfngglsmudjkn-uhfffaoysa- 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: 81.5%

: 62147-49-3
1,3-dihydroxyacetone dimer

: 333-20-0
potassium thioacyanate

: 4-(aminomethyl)benzonitrile trihydrogenphosphate

: 252882-62-5
1-(4-cyanobenzyl)-2-mercapto-5-hydroxymethylimidazole

Guidance literature:: With propionic acid; In water; acetonitrile; at 60 - 70 ℃;
DOI:10.1002/jhet.5570400206

Reference yield:

: 96-26-4,26776-70-5
dihydroxyacetone

: 333-20-0
potassium thioacyanate

: 4-(aminomethyl)benzonitrile trihydrogenphosphate

: 252882-62-5
1-(4-cyanobenzyl)-2-mercapto-5-hydroxymethylimidazole

Guidance literature:: With propionic acid; In water; acetonitrile; at 60 - 70 ℃; for 4 - 4.5h;

Reference yield:

: 17201-43-3
4-cyanobenzyl bromide

: 252882-62-5
1-(4-cyanobenzyl)-2-mercapto-5-hydroxymethylimidazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: ethanol / 1.5 h / 68 - 73 °C

1.2: 88 percent / propionoc acid; conc. H₃PO₄ / 0.5 h / 65 - 70 °C

2.1: 81.5 percent / propionic acid / H₂O; acetonitrile / 60 - 70 °C

With propionic acid; In ethanol; water; acetonitrile; 2.1: Marckwald imidazole synthesis;
DOI:10.1002/jhet.5570400206