6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine

Base Information

• Chemical Name: 6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
• CAS No.: 17465-94-0
• Molecular Formula: C11H11ClN4
• Molecular Weight: 234.688
• Hs Code.: 2933599090
• NSC Number: 87696
• DSSTox Substance ID: DTXSID70938543
• Wikidata: Q82914869
• ChEMBL ID: CHEMBL1717815
• Mol file: 17465-94-0.mol

Synonyms:17465-94-0;6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine;6-Chloro-N4-(4-methylphenyl)-4,5-pyrimidinediamine;6-chloro-4-N-(4-methylphenyl)pyrimidine-4,5-diamine;MLS002694777;4,5-Pyrimidinediamine, 6-chloro-N4-(4-methylphenyl)-;6-chloro-N4-p-tolyl-pyrimidine-4,5-diamine;NSC87696;NCIOpen2_005178;CHEMBL1717815;SCHEMBL17815587;DTXSID70938543;HMS3092K13;AMY21263;NSC-87696;AKOS002917316;SB59639;SMR001560696;6-Chloro-N4-p-tolylpyriMidine-4,5-diaMine;6-Chloro-N~4~-(4-methylphenyl)pyrimidine-4,5-diamine

Chemical Property of 6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine

Chemical Property:

• Boiling Point: 389.6°Cat760mmHg
• PKA: 2.45±0.10(Predicted)
• Flash Point: 189.4°C
• PSA: 63.83000
• Density: 1.361g/cm³
• LogP: 3.41840
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.0672241
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)N

Technology Process of 6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine

There total 2 articles about 6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine 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%

→ 6-chloro-N4-(p-tolyl)pyrimidine-4,5-diamine (17465-94-0)

Guidance literature:

With toluene-4-sulfonic acid; In 1,4-dioxane; water; Reflux;

Reference yield: 72.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + p-toluidine (106-49-0,12221-03-3) → 6-chloro-N4-(p-tolyl)pyrimidine-4,5-diamine (17465-94-0)

Guidance literature:

In ethanol; at 80 ℃; Acidic conditions;

DOI:10.1016/j.tetlet.2016.04.077

Reference yield: 89.0%

6-chloro-N4-(p-tolyl)pyrimidine-4,5-diamine (17465-94-0) → 6-iodo-N4-(p-tolyl)pyrimidine-4,5-diamine

Guidance literature:

With hydrogen iodide; sodium iodide; In water; at 20 ℃;

DOI:10.1016/j.tetlet.2016.04.077

upstream raw materials:

5-amino-4,6-dichloropyridimine

p-toluidine

Downstream raw materials:

6-chloro-9-(4-methylphenyl)-9H-purine

Refernces

• 1、 Zelli, Renaud,Zeinyeh, Wa?l,Haudecoeur, Romain,Alliot, Julien,Boucherle, Benjamin,Callebaut, Isabelle,Décout, Jean-Luc. "A One-Pot Synthesis of Highly Functionalized Purines". supporting information. p. 6360 - 6363. Retrieved 2017/12/08.
• 2、 Xie, Rui,Hu, Ying,Wan, Huixin,Hu, Yanwei,Chen, Shaohua,Zhang, Shilei,Zhang, Yinan. "An efficient synthesis of 4,6-substituted pyrrolo[3,2-d]pyrimidines by silver-catalyzed cyclization of acetylene amine". supporting information. p. 2418 - 2421. Retrieved 2016/05/19.