4-Chloro-2,5-dimethylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2,5-dimethylpyrimidine
• CAS No.: 75712-74-2
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 2933599090
• European Community (EC) Number: 860-174-6
• DSSTox Substance ID: DTXSID80499337
• Mol file: 75712-74-2.mol

Synonyms:4-Chloro-2,5-dimethylpyrimidine;75712-74-2;MFCD09754455;Pyrimidine, 4-chloro-2,5-dimethyl- (9CI);SCHEMBL3712628;DTXSID80499337;QOKSKBJSPUYZAL-UHFFFAOYSA-N;AKOS006283020;AB51539;BS-35954;Pyrimidine,4-chloro-2,5-dimethyl-(9ci);SY101579;CS-0045694;FT-0716001;4-Chloro-2,5-dimethylpyrimidine, AldrichCPR;EN300-107352;Z1198223810

Chemical Property of 4-Chloro-2,5-dimethylpyrimidine

Chemical Property:

• Vapor Pressure: 0.637mmHg at 25°C
• Refractive Index: 1.5181 (589.3 nm 20℃)
• Boiling Point: 193.802 °C at 760 mmHg
• Flash Point: 88.532 °C
• PSA: 25.78000
• Density: 1.184 g/cm³
• LogP: 1.74680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

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

4-chloro-2,5-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=C1Cl)C

Technology Process of 4-Chloro-2,5-dimethylpyrimidine

There total 2 articles about 4-Chloro-2,5-dimethylpyrimidine 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:

2,4-dimethyl-2-imidazoline (930-61-0) + chloroform (67-66-3,8013-54-5) → 2,5-dimethyl-pyrazine (123-32-0) + 2,5-dimethyl-3-chloropyrazine (95-89-6) + 2-chloro-3,5-dimethylpyrazine (38557-72-1) + 4-chloro-2,5-dimethylpyrimidine (75712-74-2)

Guidance literature:

at 550 ℃; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1039/P19800001431

Reference yield:

2,4-Dimethylimidazole (930-62-1) + chloroform (67-66-3,8013-54-5) → 4-chloro-2,6-dimethylpyrimidine (4472-45-1) + 2,5-dimethyl-3-chloropyrazine (95-89-6) + 4-chloro-2,5-dimethylpyrimidine (75712-74-2) + 5-Chloro-2,4-dimethylpyrimidine (75712-73-1)

Guidance literature:

at 550 ℃; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1039/P19800001427

Reference yield:

4-chloro-2,5-dimethylpyrimidine (75712-74-2) → 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-1H-pyrazole-5-carboxamide

Guidance literature:

Multi-step reaction with 3 steps

1.1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; triethylamine / 1,4-dioxane / 0.5 h / 100 °C / Inert atmosphere

1.2: 1.5 h / 100 °C / Inert atmosphere

2.1: water; sodium hydroxide / methanol / 1 h / 50 °C

3.1: 2-(1H-7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate methanaminium; diisopropylamine / 1-methyl-pyrrolidin-2-one / 3 h / 80 °C

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; 2-(1H-7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate methanaminium; water; triethylamine; diisopropylamine; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; sodium hydroxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; methanol;

upstream raw materials:

2,4-dimethyl-2-imidazoline

chloroform

2,4-Dimethylimidazole