(4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile

Base Information

• Chemical Name: (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile
• CAS No.: 302918-03-2
• Molecular Formula: C11H7N3O2S
• Molecular Weight: 245.261
• European Community (EC) Number: 652-032-5
• Mol file: 302918-03-2.mol

Synonyms:302918-03-2;2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile;(4-(3-NITROPHENYL)-1,3-THIAZOL-2-YL)ACETONITRILE;[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile;Oprea1_738041;AKOS000174318

Chemical Property of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile

Chemical Property:

• Melting Point: 136 °C (propan-2-ol)
• PSA: 110.74000
• LogP: 3.30758
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 245.02589765
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

98%,99%, ^*data from raw suppliers

(4-(3-NITROPHENYL)-1,3-THIAZOL-2-YL)ACETONITRILE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CC#N

Technology Process of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile

There total 1 articles about (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile 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: 82.0%

Cyanothioacetamide (7357-70-2) + 3'-nitro-2-bromoacetophenone (2227-64-7) → 4-(3-nitrophenyl)-2-thiazolylacetonitrile (302918-03-2)

Guidance literature:

In ethanol; at 40 - 50 ℃;

DOI:10.1002/1099-0690(200202)2002:4<663::AID-EJOC663>3.0.CO;2-A

Reference yield: 83.0%

4-Chlorobutanoyl chloride (4635-59-0) + 4-(3-nitrophenyl)-2-thiazolylacetonitrile (302918-03-2) → 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(tetrahydro-2-furanyliden)acetonitrile

Guidance literature:

With triethylamine; In 1,4-dioxane; at 0 - 70 ℃; for 1.5h;

DOI:10.1007/s00706-017-2032-7

Reference yield: 68.0%

2-chloro-1-methyl-pyridinium iodide (14338-32-0) + 4-(3-nitrophenyl)-2-thiazolylacetonitrile (302918-03-2) → (E)-2-[1-methylpyridin-2(1H)-ylidene]-2-[4-(3-nitrophenyl)thiazol-2-yl]acetonitrile (1046768-34-6)

Guidance literature:

With triethylamine; In ethanol; at 25 ℃; stereoselective reaction;

DOI:10.1055/s-2008-1072578

upstream raw materials:

Cyanothioacetamide

3'-nitro-2-bromoacetophenone

Downstream raw materials:

4-chloro-2-[4-(3-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-oxobutanenitrile

7-hydroxy-3-[4-(3-nitro-phenyl)-thiazol-2-yl]-chromen-2-one