4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine

Base Information

• Chemical Name: 4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine
• CAS No.: 7749-49-7
• Molecular Formula: C₁₁H₁₀ClN₃O
• Molecular Weight: 235.673
• European Community (EC) Number: 865-144-6
• DSSTox Substance ID: DTXSID001254052
• Mol file: 7749-49-7.mol

Synonyms:7749-49-7;4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine;4-(4-chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine;DTXSID001254052;4-(4-Chlorophenoxy)-6-methyl-2-pyrimidinamine;EN300-10750516

Chemical Property of 4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.0512396
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)N)OC2=CC=C(C=C2)Cl

Technology Process of 4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine

There total 3 articles about 4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-ylamine 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: 78.0%

2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate + 4-chloro-phenol (106-48-9,82344-39-6) → 4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine (7749-49-7)

Guidance literature:

at 140 ℃; for 1h;

DOI:10.1134/S1070428015100127

Reference yield:

2-amino-6-methyl-3H-pyrimidin-4-one (3977-29-5) → 4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine (7749-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 3 h / 15 - 20 °C

2: 1 h / 140 °C

With sodium hydroxide; In water;

DOI:10.1134/S1070428015100127

Reference yield:

→ 4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine (7749-49-7)

Guidance literature:

2-Amino-4-chlor-6-methyl-pyrimidin, KOH, 4-Chlor-phenol, Dampfbad;

DOI:10.1016/S0040-4020(01)99029-5

upstream raw materials:

2-amino-6-methyl-3H-pyrimidin-4-one

4-chloro-phenol