4-(Benzyloxy)-5-bromo-2-chloropyrimidine

Base Information

• Chemical Name: 4-(Benzyloxy)-5-bromo-2-chloropyrimidine
• CAS No.: 205672-19-1
• Molecular Formula: C₁₁H₈BrClN₂O
• Molecular Weight: 299.554
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90444151
• Wikidata: Q72441814
• Mol file: 205672-19-1.mol

Synonyms:205672-19-1;4-(benzyloxy)-5-bromo-2-chloropyrimidine;4-Benzyloxy-5-bromo-2-chloropyrimidine;5-bromo-2-chloro-4-phenylmethoxypyrimidine;Pyrimidine, 5-bromo-2-chloro-4-(phenylmethoxy)-;4-benzyloxy-5-bromo-2-chloro-pyrimidine;SCHEMBL12423709;DTXSID90444151;MFCD06798237;AKOS015912326;AC-1197;BS-2033;CS-W013974;SB60520;FT-0659454;C73899;A814700

Chemical Property of 4-(Benzyloxy)-5-bromo-2-chloropyrimidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.619
• Boiling Point: 431.303 °C at 760 mmHg
• Flash Point: 214.645 °C
• PSA: 35.01000
• Density: 1.587 g/cm³
• LogP: 3.47150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.95085
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

4-(Benzyloxy)-5-bromo-2-chloropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=NC(=NC=C2Br)Cl

Technology Process of 4-(Benzyloxy)-5-bromo-2-chloropyrimidine

There total 1 articles about 4-(Benzyloxy)-5-bromo-2-chloropyrimidine 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: 54.0%

2,4-dichloro-5-bromopyrimidine (36082-50-5) + sodium phenyl-methanolate (20194-18-7) → 2-chloro-4-benzyloxy-5-bromopyrimidine (205672-19-1)

Guidance literature:

In toluene; Ambient temperature;

Reference yield: 84.0%

dimethyl amine (124-40-3) + 2-chloro-4-benzyloxy-5-bromopyrimidine (205672-19-1) → 2-dimethylamino-4-benzyloxy-5-bromopyrimidine (205672-20-4)

Guidance literature:

In methanol; for 2h; Heating;

upstream raw materials:

2,4-dichloro-5-bromopyrimidine

sodium phenyl-methanolate

Downstream raw materials:

2-dimethylamino-4-benzyloxy-5-bromopyrimidine

Refernces