2,4-Dichloro-6-methyl-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Dichloro-6-methyl-1,3,5-triazine
• CAS No.: 1973-04-2
• Molecular Formula: C4H3 Cl2 N3
• Molecular Weight: 163.994
• Hs Code.: 2933699090
• European Community (EC) Number: 803-390-8
• DSSTox Substance ID: DTXSID40274566
• Nikkaji Number: J1.517.019K
• Wikidata: Q82003947
• Mol file: 1973-04-2.mol

Synonyms:2,4-dichloro-6-methyl-1,3,5-triazine;1973-04-2;1,3,5-Triazine, 2,4-dichloro-6-methyl-;SCHEMBL94294;DTXSID40274566;MFCD15203622;AKOS006333573;SB73444;2,4-dichloro6-methyl-1,3,5-triazine;BS-13160;CS-0112249;EN300-152890;A904425;2,4-Dichloro-6-methyl-1,3,5-triazine, AldrichCPR;Z1201628136

Chemical Property of 2,4-Dichloro-6-methyl-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Melting Point: 97-98 °C
• Boiling Point: 345.3°Cat760mmHg
• PKA: -0.71±0.10(Predicted)
• Flash Point: 193.4°C
• PSA: 38.67000
• Density: 1.5g/cm³
• LogP: 1.48680
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.9704025
• Heavy Atom Count: 9
• Complexity: 89.8

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Dichloro-6-methyltriazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+,C
• Statements: 14-22-26-34-43
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC(=N1)Cl)Cl
• Uses: 2,4-Dichloro-6-methyltriazine is a reagent used to prepare triazinyl-amines as inhibitors of HIV-1 reverse transcriptase. It is also used in the synthesis of anilinotriazine corticotropin releasing hormone antagonists.

Technology Process of 2,4-Dichloro-6-methyl-1,3,5-triazine

There total 6 articles about 2,4-Dichloro-6-methyl-1,3,5-triazine 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: 99.0%

acetonitrile (75-05-8,26809-02-9) + cyanogen chloride (506-77-4) → 2,4-dichloro-6-methyl-1,3,5-triazine (1973-04-2)

Guidance literature:

With hydrogenchloride; aluminum (III) chloride; In water; 1,2-dichloro-ethane; at -5 - 5 ℃; for 8h; Reagent/catalyst; Solvent;

Reference yield: 90.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + methylmagnesium bromide (75-16-1) → 2,4-dichloro-6-methyl-1,3,5-triazine (1973-04-2)

Guidance literature:

In diethyl ether; dichloromethane; at 0 - 22 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm300184s

Reference yield: 65.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2,4-dichloro-6-methyl-1,3,5-triazine (1973-04-2)

Guidance literature:

With methylmagnesium bromide; magnesium sulfate; In dichloromethane; water;

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

methylmagnesium bromide

methylmagnesium chloride

sodium dicyanamide

Downstream raw materials:

N-<2-bromo-4-(dimethylamino)phenyl>-4-chloro-6-methyltriazin-2-amine

N-(2-bromo-4-isopropylphenyl)-N-ethyl-2-chloro-6-methyl-1,3,5-triazin-4-amine

2-methyl-4,6-diamino-1,3,5-triazine

2,4-dihydroxy-6-styrenyl-1,3,5-triazine

Refernces

• 1、 -. "N-methyltriazine synthesis method". Paragraph 0021-0024; 0029-0032; 0037-0040; 0045-0048. . Retrieved 2021/04/26.
• 2、 Kitamura, Masanori,Komine, Sayaka,Kunishima, Munetaka,Yamada, Kohei. "Trizaine-based dehydrative condensation reagents bearing carbon-substituents". . . Retrieved 2020/02/22.