2-Chloro-4-propylpyrimidine

Base Information

• Chemical Name: 2-Chloro-4-propylpyrimidine
• CAS No.: 111196-80-6
• Molecular Formula: C₇H₉ClN₂
• Molecular Weight: 156.615
• Hs Code.: 2933599090
• European Community (EC) Number: 802-486-7
• DSSTox Substance ID: DTXSID80548475
• Wikidata: Q82427189
• Mol file: 111196-80-6.mol

Synonyms:2-Chloro-4-propylpyrimidine;111196-80-6;2-Chloro-4-propyl-pyrimidine;DTXSID80548475;MFCD09800976;AKOS006344736;SB56262;2-chloro-4-propylpyrimidine, AldrichCPR;BS-22881;CS-0211071;A802318

Chemical Property of 2-Chloro-4-propylpyrimidine

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 263.6 °C at 760 mmHg
• Flash Point: 138.7 °C
• PSA: 25.78000
• Density: 1.141g/cm³
• LogP: 2.08250
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 97.6

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-4-propylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC(=NC=C1)Cl

Technology Process of 2-Chloro-4-propylpyrimidine

There total 1 articles about 2-Chloro-4-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:

methylmagnesium bromide (75-16-1) + 2-chloro-4-vinylpyrimidine (131467-02-2) → 2-chloro-4-propylpyrimidine (111196-80-6)

Guidance literature:

methylmagnesium bromide; With copper(l) iodide; In tetrahydrofuran; diethyl ether; at -50 ℃; for 0.166667h; Inert atmosphere;

2-chloro-4-vinylpyrimidine; In tetrahydrofuran; diethyl ether; at -50 - -40 ℃; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran; diethyl ether;

DOI:10.3390/molecules15031973

upstream raw materials:

methylmagnesium bromide

2-chloro-4-vinylpyrimidine

Refernces