2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
• CAS No.: 112030-59-8
• Molecular Formula: C₁₁H₁₃ClN₂
• Molecular Weight: 208.691
• DSSTox Substance ID: DTXSID70549234
• Wikidata: Q82428218

Synonyms:112030-59-8;2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine;DTXSID70549234

Chemical Property of 2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0767261
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=NC1)CC2=CC=C(C=C2)Cl

Technology Process of 2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine

There total 1 articles about 2-[(4-Chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine 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: 62.0%

ethyl 2-(4-chlorophenyl)acetimidate hydrochloride (43002-66-0) + Trimethylenediamine (109-76-2,54018-94-9) → 2-(4-Chloro-benzyl)-1,4,5,6-tetrahydro-pyrimidine (112030-59-8)

Guidance literature:

In ethanol; for 10h; Heating;

DOI:10.1055/s-1987-27942

Reference yield: 42.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + 2-(4-Chloro-benzyl)-1,4,5,6-tetrahydro-pyrimidine (112030-59-8) → 10-(4-Chloro-phenyl)-7-nitro-3,4-dihydro-2H-1,4a,9-triaza-phenanthrene 9-oxide (90958-96-6)

Guidance literature:

In acetonitrile; 1) 8 h, refl., 2) r.t.;

Reference yield:

methyl 1-(4-fluoro-3-nitro-phenyl)-ethanone (777-48-0) + 2-(4-Chloro-benzyl)-1,4,5,6-tetrahydro-pyrimidine (112030-59-8) → 1-[10-(4-Chloro-phenyl)-9-oxy-3,4-dihydro-2H-1,4a,9-triaza-phenanthren-7-yl]-propan-1-one (90959-02-7)

Guidance literature:

In acetonitrile; 1) 8 h, refl., 2) r.t.;

upstream raw materials:

ethyl 2-(4-chlorophenyl)acetimidate hydrochloride

Trimethylenediamine

Downstream raw materials:

1-[10-(4-Chloro-phenyl)-9-oxy-3,4-dihydro-2H-1,4a,9-triaza-phenanthren-7-yl]-propan-1-one

10-(4-Chloro-phenyl)-7-nitro-3,4-dihydro-2H-1,4a,9-triaza-phenanthrene 9-oxide

10-(4-Chloro-phenyl)-3,4-dihydro-2H-1,4a,9-triaza-phenanthrene 9-oxide

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