Mepanipyrim

Base Information

• Chemical Name: Mepanipyrim
• CAS No.: 110235-47-7
• Molecular Formula: C14H13N3
• Molecular Weight: 223.277
• Hs Code.: 2933599014
• European Community (EC) Number: 432-140-7,600-951-7
• UNII: B150X76OJY
• DSSTox Substance ID: DTXSID4042121
• Nikkaji Number: J583.868A
• Wikidata: Q15632906
• Metabolomics Workbench ID: 67963
• ChEMBL ID: CHEMBL2269513
• Mol file: 110235-47-7.mol

Synonyms:mepanipyrim;N-(4-methyl-6-prop-1-ynylpyrimidin-2-yl)aniline

Chemical Property of Mepanipyrim

Chemical Property:

• Vapor Pressure: 3.35E-07mmHg at 25°C
• Melting Point: 132.8 °C
• Refractive Index: 1.617
• Boiling Point: 418.2 °C at 760 mmHg
• PKA: 4.5 (est. base)
• Flash Point: 206.7 °C
• PSA: 37.81000
• Density: 1.16 g/cm³
• LogP: 2.97300
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 3.1 mg l-1(20 °C)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.110947427
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

99.9% ^*data from raw suppliers

Mepanipyrim ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,Xn
• Statements: 51/53-50/53-40
• Safety Statements: 60-61-46-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
• Uses: Mepanipyrim is an anilinopyrimidine fungicide which have been used in the management of fungal diseases in strawberries. Agricultural fungicide. Mepanipyrim is a non-systemic fungicide that provides preventative control of diseases in pome fruits (scab), vines, strawberries, tomatoes and cucumbers (grey mould) and peaches (brown rots) caused by Botrytis cinerea, Venturia inaequaris and Monilinia fructicola.

Technology Process of Mepanipyrim

There total 11 articles about Mepanipyrim 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: 93.2%

2-anilino-4-methyl-6-(2-chloropropen-1-yl)pyrimidine → mepanipyrim (110235-47-7)

Guidance literature:

With hydrogenchloride; sodium bicarbonate; potassium tert-butylate; In tetrahydrofuran; water;

Reference yield: 90.0%

6-methyl-2-phenylamino-4-chloropyrimidine (6967-54-0) + prop-1-yne (74-99-7) → mepanipyrim (110235-47-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere;

Reference yield: 89.6%

→ mepanipyrim (110235-47-7)

Guidance literature:

upstream raw materials:

potassium hydroxide

2-methanesulfonyl-4-methyl-6-(1-propynyl)pyrimidine

Formanilid

2-chloro-4-methyl-6-(prop-1-ynyl)pyrimidine

Refernces

• 1、 Mosrin, Marc,Knochel, Paul. "Regio- And chemoselective metalation of chloropyrimidine derivatives with TMPMgCl·LiCl and TMP2Zn·2MgCl2·2 LiCl". experimental part. p. 1468 - 1477. Retrieved 2009/08/07.
• 2、 -. "Pyrimidine derivative, process for preparing same and agricultural or horticultural fungicidal composition containing same". . . Retrieved 2008/06/13.