2-(Methylthio)-4-phenylpyrimidine

Base Information

• Chemical Name: 2-(Methylthio)-4-phenylpyrimidine
• CAS No.: 56734-10-2
• Molecular Formula: C11H10N2S
• Molecular Weight: 202.28
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40355824
• Nikkaji Number: J528.928I
• Wikidata: Q82134888
• Mol file: 56734-10-2.mol

Synonyms:2-(Methylthio)-4-phenylpyrimidine;56734-10-2;2-methylsulfanyl-4-phenylpyrimidine;2-methylsulfanyl-4-phenyl-pyrimidine;2-methylthio-4-phenylpyrimidine;SCHEMBL1034731;2-methylthio-4-phenyl-pyrimidine;DTXSID40355824;LHQHZLLOGPDNGV-UHFFFAOYSA-N;MFCD00234990;ETHYL2-ISOTHIOCYANATOPROPIONATE;AKOS022171936;SB60530;AS-11603;CS-0150098;N10412;A848229;2-(methylthio)-4-phenylpyrimidine;2-Methylsulfanyl-4-phenylpyrimidine

Chemical Property of 2-(Methylthio)-4-phenylpyrimidine

Chemical Property:

• Melting Point: 86～87℃
• PSA: 51.08000
• LogP: 2.86550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.05646950
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2-Methylsulfanyl-4-phenylpyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=CC(=N1)C2=CC=CC=C2

Technology Process of 2-(Methylthio)-4-phenylpyrimidine

There total 15 articles about 2-(Methylthio)-4-phenylpyrimidine 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: 100.0%

2-(methylsulfanyl)pyrimidine (823-09-6) + phenyllithium (591-51-5) → 2-(methylsulfanyl)-4-phenylpyrimidine (56734-10-2)

Guidance literature:

2-(methylsulfanyl)pyrimidine; phenyllithium; In tetrahydrofuran; at 0 ℃; for 2h;

With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at 20 ℃; for 0.75h;

DOI:10.1021/ja044923w

Reference yield: 99.0%

2-Methylthiouracil (5751-20-2,124700-69-2) + phenylboronic acid (98-80-6) → 2-(methylsulfanyl)-4-phenylpyrimidine (56734-10-2)

Guidance literature:

2-Methylthiouracil; With triethylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,4-dioxane; at 20 ℃; for 2h; Inert atmosphere; Sealed tube;

phenylboronic acid; With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; at 100 ℃; for 4h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0031-1290826

Reference yield: 78.0%

2,6-diphenylpyrylium perchlorate (3558-68-7) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → 2-(methylsulfanyl)-4-phenylpyrimidine (56734-10-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 1h; Heating;

DOI:10.1007/BF00506090

upstream raw materials:

4-chloro-2-(methylthio)-6-phenylpyrimidine

4-Chloro-2-methylthiopyrimidine

tributylphenylstannane

iodobenzene

Downstream raw materials:

2-(4-methylphenyl)-4-phenylpyrimidine

2-methanesulphonyl-4-phenylpyrimidine

2-(methylsulfanyl)-4,6-diphenylpyrimidine

Refernces

• 1、 Itami, Kenichiro,Yamazaki, Daisuke,Yoshida, Jun-Ichi. "Pyrimidine-core extended π-systems: General synthesis and interesting fluorescent properties". . p. 15396 - 15397. Retrieved 2007/10/03.
• 2、 -. "Fungicides". . . Retrieved 2008/06/13.