5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine

Base Information

• Chemical Name: 5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine
• CAS No.: 1780-34-3
• Molecular Formula: C6H5 Br Cl2 N2
• Molecular Weight: 255.929
• Hs Code.: 2933599090
• NSC Number: 40594
• DSSTox Substance ID: DTXSID90285127
• Wikidata: Q82020386
• ChEMBL ID: CHEMBL1986853
• Mol file: 1780-34-3.mol

Synonyms:5-(bromomethyl)-4,6-dichloro-2-methylpyrimidine;1780-34-3;Pyrimidine, 5-(bromomethyl)-4,6-dichloro-2-methyl-;NSC40594;CHEMBL1986853;DTXSID90285127;Pyrimidine,6-dichloro-2-methyl-;BAA78034;NSC 40594;NSC-40594;AKOS022188169;SB59002;NCI60_003839;CS-0045923

Chemical Property of 5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine

Chemical Property:

• Melting Point: 109-110 °C(Solv: methanol (67-56-1))
• Boiling Point: 295.0±35.0 °C(Predicted)
• PKA: -4.50±0.39(Predicted)
• PSA: 25.78000
• Density: 1.758±0.06 g/cm3(Predicted)
• LogP: 2.98670
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.90132
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)CBr)Cl

Technology Process of 5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine

There total 1 articles about 5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine 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:

4,6-dichloro-2,5-dimethyl-pyrimidine (1780-33-2) → 5-bromomethyl-4,6-dichloro-2-methyl-pyrimidine (1780-34-3)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide;

Reference yield:

5-bromomethyl-4,6-dichloro-2-methyl-pyrimidine (1780-34-3) + sodium ethanolate (141-52-6) → 5-ethoxymethyl-2-methyl-3H-pyrimidin-4-one (5423-97-2)

Guidance literature:

With ethanol; anschliessenden Hydrieren an Palladium/Kohle und Behandeln mit konz.HCl;

Reference yield:

5-bromomethyl-4,6-dichloro-2-methyl-pyrimidine (1780-34-3) → 5-methoxymethyl-2-methyl-3H-pyrimidin-4-one (41077-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: palladium/charcoal; ethanol / Hydrogenation_.und anschliessenden Hydrolyse mit konz.wss.HCl

With methanol; palladium on activated charcoal; ethanol;

upstream raw materials:

4,6-dichloro-2,5-dimethyl-pyrimidine

Downstream raw materials:

5-ethoxymethyl-2-methyl-3H-pyrimidin-4-one

5-methoxymethyl-2-methyl-3H-pyrimidin-4-one