Pyriminobac [ISO]

Base Information

• Chemical Name: Pyriminobac [ISO]
• CAS No.: 136191-56-5
• Molecular Formula: C16H17N3O6
• Molecular Weight: 347.327
• UNII: 324VPI7F2Z
• DSSTox Substance ID: DTXSID80869854
• Mol file: 136191-56-5.mol

Synonyms:Pyriminobac [ISO];Pyriminobac;UNII-324VPI7F2Z;324VPI7F2Z;136191-56-5;SCHEMBL117724;DTXSID80869854;2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]-6-(N-methoxyethanimidoyl)benzoic acid

Chemical Property of Pyriminobac [ISO]

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 347.11173527
• Heavy Atom Count: 25
• Complexity: 463

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC)C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)O

Technology Process of Pyriminobac [ISO]

There total 1 articles about Pyriminobac [ISO] 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: 86.0%

→ pyriminobac (136191-56-5)

Guidance literature:

Reference yield: 69.0%

ethyl bromide (74-96-4) + pyriminobac (136191-56-5) → Ethyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[1-(methoxyimino)ethyl]benzoate

Guidance literature:

pyriminobac; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

ethyl bromide; at 60 ℃; for 1h;

DOI:10.1002/(SICI)1096-9063(199701)49:1<76::AID-PS491>3.0.CO;2-E

Reference yield:

pyriminobac (136191-56-5) → 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-6-{1-[(E)-methoxyimino]-ethyl}-benzoic acid isopropyl ester

Guidance literature:

pyriminobac; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

i-Pr-X; at 60 ℃; for 1h;

DOI:10.1002/(SICI)1096-9063(199701)49:1<76::AID-PS491>3.0.CO;2-E

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