Bacimethrin

Base Information

• Chemical Name: Bacimethrin
• CAS No.: 3690-12-8
• Molecular Formula: C₆H₉N₃O₂
• Molecular Weight: 155.156
• Hs Code.: 2933599090
• NSC Number: 66577
• UNII: 378Z7N5REL
• DSSTox Substance ID: DTXSID70190381
• Nikkaji Number: J82.157H
• Wikidata: Q27256660
• Mol file: 3690-12-8.mol

Synonyms:4-amino-2-methoxy-5-pyrimidinemethanol;bacimethrin

Chemical Property of Bacimethrin

Chemical Property:

• Vapor Pressure: 6.03E-07mmHg at 25°C
• Melting Point: 174℃ (decomposition) (methanol )
• Refractive Index: 1.602
• Boiling Point: 394.9 °Cat760mmHg
• PKA: 13.04±0.10(Predicted)
• Flash Point: 192.7 °C
• PSA: 81.26000
• Density: 1.337 g/cm³
• LogP: 0.14090
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

Bacimethrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=C(C(=N1)N)CO

Technology Process of Bacimethrin

There total 3 articles about Bacimethrin 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: 53.0%

4-amino-2-methoxy-pyrimidine-5-carbonitrile (6964-55-2) → bacimethrin (3690-12-8)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; for 3h; under 2327.2 Torr; Ambient temperature;

DOI:10.1002/jhet.5570350226

Reference yield:

5-hydroxymethylcytosine (1123-95-1) + S-adenosylmethionine → bacimethrin (3690-12-8)

Guidance literature:

With methyl transferase; Enzymatic reaction;

DOI:10.1021/bi500281a

Reference yield:

→ bacimethrin (3690-12-8)

Guidance literature:

upstream raw materials:

4-amino-2-methoxy-pyrimidine-5-carbonitrile

5-hydroxymethylcytosine