4-Vinylpyrimidine

Base Information

• Chemical Name: 4-Vinylpyrimidine
• CAS No.: 45588-69-0
• Molecular Formula: C6H6N2
• Molecular Weight: 106.127
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90437745
• Nikkaji Number: J801.344F
• Wikidata: Q82253306
• Mol file: 45588-69-0.mol

Synonyms:4-Vinylpyrimidine;4-ethenylpyrimidine;45588-69-0;6-vinylpyrimidine;PYRIMIDINE, 4-ETHENYL- (9CI);SCHEMBL544626;DTXSID90437745;UMKWZZPKADNTRP-UHFFFAOYSA-N;AKOS013993329;EN300-1837443

Chemical Property of 4-Vinylpyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 1.11960
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 106.053098200
• Heavy Atom Count: 8
• Complexity: 80.6

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=NC=NC=C1

Technology Process of 4-Vinylpyrimidine

There total 3 articles about 4-Vinylpyrimidine 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-(2-hydroxyethyl)pyrimidine (68121-32-4) → 4-vinyl pyrimidine (45588-69-0)

Guidance literature:

With potassium hydroxide; unter vermindertem Druck;

DOI:10.1021/ja01636a043

Reference yield:

4-Methylpyrimidine (3438-46-8) → 4-vinyl pyrimidine (45588-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 165 °C

2: KOH / unter vermindertem Druck

With potassium hydroxide;

DOI:10.1021/ja01636a043

Reference yield:

2,4-dichloro-6-methylpyrimidine (5424-21-5) → 4-vinyl pyrimidine (45588-69-0)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium/charcoal; MgO; aqueous ethanol / Hydrogenation

2: 165 °C

3: KOH / unter vermindertem Druck

With potassium hydroxide; palladium on activated charcoal; ethanol; magnesium oxide;

DOI:10.1021/ja01636a043

upstream raw materials:

4-(2-hydroxyethyl)pyrimidine

4-Methylpyrimidine

2,4-dichloro-6-methylpyrimidine

Downstream raw materials:

4-ethylpyrimidine