2-(2,4-Dimethylthiazol-5-yl)acetonitrile

Base Information

• Chemical Name: 2-(2,4-Dimethylthiazol-5-yl)acetonitrile
• CAS No.: 50382-35-9
• Molecular Formula: C7H8N2S
• Molecular Weight: 152.2168
• NSC Number: 39170
• DSSTox Substance ID: DTXSID30964646
• Wikidata: Q82946681
• Mol file: 50382-35-9.mol

Synonyms:2-(2,4-dimethylthiazol-5-yl)acetonitrile;50382-35-9;2-(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile;(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile;NSC39170;SCHEMBL1243036;DTXSID30964646;NSC-39170;STL227842;2,4-dimethyl-5-thiazolylacetonitrile;AKOS002663122;AS-82890;CS-0331951;FT-0653163;E72606

Chemical Property of 2-(2,4-Dimethylthiazol-5-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.00374mmHg at 25°C
• Boiling Point: 280.6°Cat760mmHg
• Flash Point: 123.5°C
• PSA: 64.92000
• Density: 1.162g/cm³
• LogP: 1.82598
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.04081944
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4-Dimethylthiazol-5-yl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C)CC#N

Technology Process of 2-(2,4-Dimethylthiazol-5-yl)acetonitrile

There total 5 articles about 2-(2,4-Dimethylthiazol-5-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:

ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (7210-77-7) → (2,4-dimethyl-thiazol-5-yl)-acetonitrile (50382-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / Heating

2: (i) SOCl₂, CHCl₃, (ii) /BRN= 3587243/, DMSO

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00267a005

Reference yield:

2-(2,4-dimethyl-thiazol-5-yl)-acetamide (61928-55-0) → (2,4-dimethyl-thiazol-5-yl)-acetonitrile (50382-35-9)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9470001400 DOI:10.1021/jo01166a021

Reference yield:

ethyl 2-(2,4-dimethylthiazol-5-yl)acetate (405921-41-7) → (2,4-dimethyl-thiazol-5-yl)-acetonitrile (50382-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NH₃

2: POCl₃

With ammonium hydroxide; trichlorophosphate;

DOI:10.1039/jr9470001400 DOI:10.1021/jo01166a021

upstream raw materials:

2-(2,4-dimethyl-thiazol-5-yl)-acetamide

(2,4-dimethyl-1,3-thiazol-5-yl)methanol

sodium cyanide

(2,4-dimethyl-1,3-thiazole-5-yl)acetic acid

Downstream raw materials:

1-(2,4-dihydroxy-phenyl)-2-(2,4-dimethyl-thiazol-5-yl)-ethanone

1-(2,4-dihydroxy-6-methyl-phenyl)-2-(2,4-dimethyl-thiazol-5-yl)-ethanone

2-(2,4-dimethyl-thiazol-5-yl)-ethylamine