2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

Base Information

• Chemical Name: 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
• CAS No.: 112146-11-9
• Molecular Formula: C₁₀H₅F₃N₂S
• Molecular Weight: 242.224
• NSC Number: 699713
• DSSTox Substance ID: DTXSID801242623
• ChEMBL ID: CHEMBL1989510
• Mol file: 112146-11-9.mol

Synonyms:2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile;112146-11-9;NSC699713;[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile;IFLab1_003610;CHEMBL1989510;SCHEMBL18285793;DTXSID801242623;HMS1422E02;AKOS000117936;NSC-699713;IDI1_009717;NCI60_035683;CS-0244292;EN300-27488;5-(Trifluoromethyl)-2-benzothiazoleacetonitrile;SR-01000009183;SR-01000009183-1;Z56794479;F0797-0141

Chemical Property of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 242.01255383
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N

Technology Process of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

There total 1 articles about 2-[5-(Trifluoromethyl)-1,3-benzothiazol-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: 92.0%

Cyanothioacetamide (7357-70-2) + 2-iodo-4-(trifluoromethyl)benzenamine (105202-02-6) → 2-(5-(trifluoromethyl)benzo[d]thiazol-2-yl)acetonitrile (112146-11-9)

Guidance literature:

With calcium oxide; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1246/cl.1987.839

upstream raw materials:

Cyanothioacetamide

2-iodo-4-(trifluoromethyl)benzenamine