(5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol

Base Information

• Chemical Name: (5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol
• CAS No.: 74840-36-1
• Molecular Formula: C₁₈H₁₅ClN₂OS
• Molecular Weight: 342.849
• Hs Code.: 2933599090
• European Community (EC) Number: 651-811-7
• DSSTox Substance ID: DTXSID201196797
• Mol file: 74840-36-1.mol

Synonyms:(5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol;74840-36-1;(5-chloro-2-methylsulfanylpyrimidin-4-yl)-diphenylmethanol;DTXSID201196797;AKOS022187683;SB58626;5-Chloro-2-(methylthio)-alpha,alpha-diphenyl-4-pyrimidinemethanol;5-CHLORO-ALPHA,ALPHA-DIPHENYL-2-METHYLTHIO-4-PYRIMIDINEMETHANOL

Chemical Property of (5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol

Chemical Property:

• PSA: 71.31000
• LogP: 4.13610
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 342.0593620
• Heavy Atom Count: 23
• Complexity: 354

Purity/Quality:

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

5-CHLORO-ALPHA,ALPHA-DIPHENYL-2-METHYLTHIO-4-PYRIMIDINEMETHANOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=C(C(=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)Cl

Technology Process of (5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol

There total 2 articles about (5-Chloro-2-(methylthio)pyrimidin-4-yl)diphenylmethanol 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:

5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (61727-33-1) → α-(5-chloro-2-methylthio-4-pyrimidinyl)benzhydrol (74840-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 68.6 percent / HCl(g) / 1 h / 60 - 70 °C

2: 1) Mg / 1) diethylether; 2) diethyl ether, 30 deg C, 1.5 h

With hydrogenchloride; magnesium;

DOI:10.1135/cccc19800539

Reference yield:

bromobenzene (108-86-1,52753-63-6) + ethyl 5-chloro-2-methylthio-4-pyrimidinecarboxylate (74840-35-0) → α-(5-chloro-2-methylthio-4-pyrimidinyl)benzhydrol (74840-36-1)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1) diethylether; 2) diethyl ether, 30 deg C, 1.5 h;

DOI:10.1135/cccc19800539

Reference yield: 51.0%

α-(5-chloro-2-methylthio-4-pyrimidinyl)benzhydrol (74840-36-1) + N,N'-Thionyldiimidazole (3005-50-3) → (5-chloro-2-methylthio-4-pyrimidinyl)-diphenyl-(1-imidazolyl)methane (74840-37-2)

Guidance literature:

In acetonitrile; for 48h;

DOI:10.1135/cccc19800539

upstream raw materials:

bromobenzene

ethyl 5-chloro-2-methylthio-4-pyrimidinecarboxylate

5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid

Downstream raw materials:

(5-chloro-2-methylthio-4-pyrimidinyl)-diphenyl-(1-imidazolyl)methane

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