4-Chloro-2-methyl-6-propylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2-methyl-6-propylpyrimidine
• CAS No.: 89967-20-4
• Molecular Formula: C₈H₁₁ClN₂
• Molecular Weight: 170.642
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90522529
• Wikidata: Q82387874
• Mol file: 89967-20-4.mol

Synonyms:4-chloro-2-methyl-6-propylpyrimidine;89967-20-4;4-Chloro-2-methyl-6-propyl-pyrimidine;SCHEMBL3802657;DTXSID90522529;AKOS000321401;SB55559;AS-40428;4-chloro-2-methyl-6-(n-propyl)pyrimidine;CS-0297242;EN300-381490;F8882-2209

Chemical Property of 4-Chloro-2-methyl-6-propylpyrimidine

Chemical Property:

• Vapor Pressure: 0.111mmHg at 25°C
• Boiling Point: 228.5oC at 760 mmHg
• Flash Point: 113.9oC
• PSA: 25.78000
• Density: 1.112g/cm3
• LogP: 2.39090
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0610761
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

4-chloro-2-methyl-6-propylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=NC(=N1)C)Cl

Technology Process of 4-Chloro-2-methyl-6-propylpyrimidine

There total 3 articles about 4-Chloro-2-methyl-6-propylpyrimidine 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: 79.0%

2-methyl-6-propyl-4(3H)-pyrimidinone (89967-18-0) → 4-chloro-2-methyl-6-propyl-pyrimidine (89967-20-4)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

Reference yield:

ethyl butyroyl acetate (3249-68-1) → 4-chloro-2-methyl-6-propyl-pyrimidine (89967-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / 1.) sodium methoxide / 1.) methanol, rt., 12 h; 2.) 120 deg C, 20 mmHg, 2 h

2: 79 percent / phosphoryl chloride / 3 h / Heating

With sodium methylate; trichlorophosphate;

Reference yield:

→ 4-chloro-2-methyl-6-propyl-pyrimidine (89967-20-4)

Guidance literature:

4-Hydroxy-2-methyl-6-propylpyrimidin, POCl3 (0grad, dann Sdet., 3h);

DOI:10.1039/jr9630005642

upstream raw materials:

2-methyl-6-propyl-4(3H)-pyrimidinone

ethyl butyroyl acetate

Downstream raw materials:

2-Methyl-4-propyl-pyrimidine

2-methyl-4-propionyl-pyrimidine

Refernces

• 1、 Sakamoto, Takao,Sakasai, Takeji,Yoshizawa, Hiroshi,Tanji, Ken-Ichi,Nishimura, Sumiko,Yamanaka, Hiroshi. "Studies on Pyrimidine Derivatives. XXXIII. Synthesis of Alkyl Pyrimidinyl Ketones by Means of Nitrosation of Alkylpyrimidines". . p. 4554 - 4560. Retrieved 2007/10/02.