Crimidine

Base Information

• Chemical Name: Crimidine
• CAS No.: 535-89-7
• Molecular Formula: C7H10 Cl N3
• Molecular Weight: 171.63
• Hs Code.: 2933599017
• European Community (EC) Number: 208-622-6
• NSC Number: 2017
• UN Number: 2588
• UNII: W34R2923T3
• DSSTox Substance ID: DTXSID0041800
• Nikkaji Number: J6.348G
• Wikipedia: Crimidine
• Wikidata: Q2645488
• ChEMBL ID: CHEMBL1607733
• Mol file: 535-89-7.mol

Synonyms:Castrix;crimidine

Chemical Property of Crimidine

Chemical Property:

• Vapor Pressure: 0.00198mmHg at 25°C
• Melting Point: 87oC
• Refractive Index: 1.6010 (estimate)
• Boiling Point: 291.2°Cat760mmHg
• PKA: 3.45±0.10(Predicted)
• Flash Point: 129.9°C
• PSA: 29.02000
• Density: 1.207g/cm³
• LogP: 1.50440
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0563250
• Heavy Atom Count: 11
• Complexity: 129
• Transport DOT Label: Poison

Purity/Quality:

Crimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+
• Statements: 28
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Rodenticides
• Canonical SMILES: CC1=CC(=NC(=N1)Cl)N(C)C
• Uses: Rodenticide. Crimidine can be used for pesticidal utility.

Technology Process of Crimidine

There total 4 articles about Crimidine 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: 68.0%

2,4-dichloro-6-methylpyrimidine (5424-21-5) + dimethyl amine (124-40-3) → crimidine (535-89-7)

Guidance literature:

In tetrahydrofuran;

DOI:10.1016/j.bmcl.2018.08.005

Reference yield: 59.0%

2,4-dichloro-6-methylpyrimidine (5424-21-5) + dimethyl amine (124-40-3) → crimidine (535-89-7) + (4-chloro-6-methylpyrimidin-2-yl)-dimethylamine (5734-62-3)

Guidance literature:

In tetrahydrofuran; at 30 ℃; for 18h;

DOI:10.1021/acs.jmedchem.6b01422

Reference yield: 7.0%

2,4-dichloro-6-methylpyrimidine (5424-21-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → crimidine (535-89-7) + (4-chloro-6-methylpyrimidin-2-yl)-dimethylamine (5734-62-3) + [(E)-2-(2,6-Dichloro-pyrimidin-4-yl)-vinyl]-dimethyl-amine

Guidance literature:

In toluene; for 14h; Heating;

DOI:10.1002/jhet.5570330240

upstream raw materials:

2,4-dichloro-6-methylpyrimidine

dimethyl amine

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

cis-4-(4-dimethylamino-6-methyl-pyrimidin-2-ylamino) cyclohexanecarboxylic acid ethyl ester

Refernces

• 1、 Thomas, Michael G.,De Rycker, Manu,Cotillo Torrejon, Ignacio,Thomas, John,Riley, Jennifer,Spinks, Daniel,Read, Kevin D.,Miles, Tim J.,Gilbert, Ian H.,Wyatt, Paul G.. "2,4-Diamino-6-methylpyrimidines for the potential treatment of Chagas’ disease". . p. 3025 - 3030. Retrieved 2018/08/20.
• 2、 -. "TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS". Page/Page column 274; 275. . Retrieved 2016/11/21.