4,6-Dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine
• CAS No.: 83217-37-2
• Molecular Formula: C₁₃H₁₂Cl₂N₂O₃
• Molecular Weight: 315.156
• DSSTox Substance ID: DTXSID50702325
• Wikidata: Q82634206
• Mol file: 83217-37-2.mol

Synonyms:83217-37-2;SCHEMBL11290763;DTXSID50702325;4,6-DICHLORO-2-(3,4,5-TRIMETHOXYPHENYL)PYRIMIDINE;AKOS012921426

Chemical Property of 4,6-Dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine

Chemical Property:

• PSA: 53.47000
• LogP: 3.47620
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 314.0224976
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)Cl)Cl

Technology Process of 4,6-Dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine

There total 4 articles about 4,6-Dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine 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: 82.0%

2-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diol (4156-73-4) → 4,6-dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine (83217-37-2)

Guidance literature:

With trichlorophosphate; for 5h; Heating;

DOI:10.1002/hlca.200390137

Reference yield:

3,4,5-trimethoxybenzenecarboximidamide hydrochloride (4156-59-6) → 4,6-dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine (83217-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 41.6 percent / MeONa / methanol / 24 h / Heating

2: 82 percent / POCl₃ / 5 h / Heating

With sodium methylate; trichlorophosphate; In methanol;

DOI:10.1002/hlca.200390137

Reference yield:

methyl 3,4,5-trimethoxybenzenecarboximidate hydrochloride → 4,6-dichloro-2-(3,4,5-trimethoxyphenyl)pyrimidine (83217-37-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / NH₃ / methanol / 48 h / 20 °C

2: 41.6 percent / MeONa / methanol / 24 h / Heating

3: 82 percent / POCl₃ / 5 h / Heating

With ammonia; sodium methylate; trichlorophosphate; In methanol;

DOI:10.1002/hlca.200390137

upstream raw materials:

2-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diol

3,4,5-trimethoxybenzenecarboximidamide hydrochloride

3,4,5-trimethoxybenzonitrile

Downstream raw materials:

4,6-bis(1-methylhydrazino)-2-(3,4,5-trimethoxyphenyl)pyrimidine

Refernces