5-Amino-4,6-dichloro-2-methylpyrimidine

Base Information

• Chemical Name: 5-Amino-4,6-dichloro-2-methylpyrimidine
• CAS No.: 39906-04-2
• Molecular Formula: C5H5Cl2N3
• Molecular Weight: 178.021
• Hs Code.: 29335990
• European Community (EC) Number: 419-110-9,609-751-4
• DSSTox Substance ID: DTXSID60353084
• Nikkaji Number: J2.258.623H
• Wikidata: Q72435719
• Mol file: 39906-04-2.mol

Synonyms:39906-04-2;5-Amino-4,6-dichloro-2-methylpyrimidine;4,6-dichloro-2-methylpyrimidin-5-amine;2-Methyl-4,6-dichloro-5-aminopyrimidine;4,6-Dichloro-2-methyl-pyrimidin-5-ylamine;5-Pyrimidinamine, 4,6-dichloro-2-methyl-;MFCD00194053;4,6-dichloro-2-methyl-pyrimidin-5-amine;4,6-Dichloro-2-methylpyrimidin-5-ylamine;SCHEMBL112929;FKRXXAMAHOGYNT-UHFFFAOYSA-;DTXSID60353084;HMS1775N17;BBL104370;STL558622;AKOS003621278;CS-W017349;PS-4364;SB12032;2-Methyl-4,6-dichloropyrimidine-5-amine;4,6-dichloro-2-methyl-5-aminopyrimidine;AC-23003;BP-20084;SY017481;4,6-Dichloro-2-methyl-5-amino-pyrimidine;AM20100054;FT-0639593;EN300-13082;5-Amino-4,6-dichloro-2-methylpyrimidine, 97%;W-202642;Z56767610

Chemical Property of 5-Amino-4,6-dichloro-2-methylpyrimidine

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.0143mmHg at 25°C
• Melting Point: 70-73 °C
• Refractive Index: 1.614
• Boiling Point: 257.7 °C at 760 mmHg
• PKA: -2.55±0.39(Predicted)
• Flash Point: 109.6 °C
• PSA: 51.80000
• Density: 1.504 g/cm³
• LogP: 2.25520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.9860526
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-4,6-dichloro-2-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)N)Cl
• Uses: 5-Amino-4,6-dichloro-2-methylpyrimidine is a useful research chemical for organic synthesis and other chemical and pharmacological processes.

Technology Process of 5-Amino-4,6-dichloro-2-methylpyrimidine

There total 11 articles about 5-Amino-4,6-dichloro-2-methylpyrimidine 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: 84.0%

4,6-dichloro-2-methyl-5-nitropyrimidine (13162-43-1) → 5-amino-4,6-dichloro-2-methylpyrimidine (39906-04-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2017.08.060

Reference yield: 26.0%

5-amino-4,6-dihydroxy-2-methylpyrimidine (98797-08-1) → 5-amino-4,6-dichloro-2-methylpyrimidine (39906-04-2)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 20h; Inert atmosphere; Sealed tube;

Reference yield:

4,6-dichloro-2-methyl-5-nitropyrimidine (13162-43-1) + iron (7439-89-6) → 5-amino-4,6-dichloro-2-methylpyrimidine (39906-04-2)

Guidance literature:

With acetic acid; In methanol;

upstream raw materials:

5-amino-6-chloro-2-methyl-3H-pyrimidin-4-one

4,6-dichloro-2-methyl-5-nitropyrimidine

2-methyl-5-nitro-1H-pyrimidine-4,6-dione

2-methyl-1H-pyrimidine-4,6-dione

Downstream raw materials:

5-amino-4-methoxy-6-chloro-2-methyl-pyrimidine

6-chloro-2-methyl-N₄-phenylpyrimidine-4,5-diamine

4-chloro-5-cyano-1,2,3-triazole

4-chloro-6-(3,4-dimethoxy-phenylsulfanyl)-2-methyl-pyrimidin-5-ylamine

Refernces

• 1、 Huang, Daowei,Huang, Lei,Zhang, Qingwei,Li, Jianqi. "Synthesis and biological evaluation of novel 6,11-dihydro-5H-benzo[e]pyrimido- [5,4-b][1,4]diazepine derivatives as potential c-Met inhibitors". . p. 212 - 228. Retrieved 2017.
• 2、 Zhang, Shao-Lin,Zhang, Wen,Xiao, Qingpin,Yang, Zheng,Hu, Xiaohui,Wei, Zhiyi,Tam, Kin Yip. "Development of dichloroacetamide pyrimidines as pyruvate dehydrogenase kinase inhibitors to reduce cancer cell growth: Synthesis and biological evaluation". . p. 78762 - 78767. Retrieved 2016/09/09.