2-Chloro-4,6-dimethoxy-1,3,5-triazine

Base Information

• Chemical Name: 2-Chloro-4,6-dimethoxy-1,3,5-triazine
• CAS No.: 3140-73-6
• Molecular Formula: C5H6ClN3O2
• Molecular Weight: 175.575
• Hs Code.: 29339900
• European Community (EC) Number: 221-541-0
• NSC Number: 46520
• UNII: 6KB2H8FE5Q
• DSSTox Substance ID: DTXSID60185322
• Nikkaji Number: J33.215A
• Wikidata: Q72518635
• ChEMBL ID: CHEMBL1631172
• Mol file: 3140-73-6.mol

Synonyms:4-chloro-methandienone;CDMT;D-4-chloro-17 beta-hydroxy-3-oxo-17 alpha-methylandrosta-1,4-diene;dehydrochlormethyltestosterone;Oral Turinabol;Turinabol-oral

Chemical Property of 2-Chloro-4,6-dimethoxy-1,3,5-triazine

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.00152mmHg at 25°C
• Melting Point: 71-74 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 305.1 °C at 760 mmHg
• PKA: 0.33±0.10(Predicted)
• Flash Point: 138.3 °C
• PSA: 57.13000
• Density: 1.36 g/cm³
• LogP: 0.54220
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform, Methanol
• Water Solubility.: insoluble
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 175.0148541
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4,6-dimethoxy-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=NC(=N1)Cl)OC
• Uses: 2-Chloro-4,6-dimethoxy-1,3,5-triazine is used as a peptide coupling agent for the purification of peptides. It is used in the synthesis of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride through coupling with N-methylmorpholine in tetrahydrofuran. Further, it plays an important role in the production of bis(4,6-dimethoxy-1,3,5-triazin-2-yl) ether, through reaction with 2-hydroxy-4,6-dimethoxy-1,3,5-triazine. In addition to this, it is involved in the preparation of 2-(4,6-dimethoxy-1,3,5-triazinyl)trialkylammonium salts through reaction with various tertiary amines. 2-Chloro-4,6-dimethoxy-1,3,5-triazine may be used in the following studies:The specific labeling of streptavidin by the modular method for affinity labeling (MoAL). The preparation of bis(4,6-dimethoxy-1,3,5-triazin-2-yl) ether, via reaction with 2-hydroxy-4,6-dimethoxy-1,3,5-triazine. The preparation of 2-(4,6-dimethoxy-1,3,5-triazinyl)trialkylammonium salts, via reaction with various tertiary amines. The synthesis of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride, via coupling with N-methylmorpholine in THF.

Technology Process of 2-Chloro-4,6-dimethoxy-1,3,5-triazine

There total 11 articles about 2-Chloro-4,6-dimethoxy-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: 96.0%

methanol (67-56-1) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2-chloro-4,6-dimethoxy-1 ,3,5-triazine (3140-73-6)

Guidance literature:

With sodium hydrogencarbonate; at 25 - 50 ℃; for 4h;

DOI:10.3390/molecules21060714

Reference yield: 90.0%

2-hydroxy-4,6-dimethoxy-1,3,5-triazine (1075-59-8) → 2-chloro-4,6-dimethoxy-1 ,3,5-triazine (3140-73-6)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 3h; Heating;

DOI:10.1016/S0040-4039(02)00546-4

Reference yield: 89.2%

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2-chloro-4,6-dimethoxy-1 ,3,5-triazine (3140-73-6)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water;

upstream raw materials:

methanol

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

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

sodium methylate

Downstream raw materials:

N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(4,6-dimethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide

2,6-dimethoxy-1,3,5-triazine

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

Refernces

• 1、 Shinde, Ravindra S.,Salunke, Shridhar D.. "Synthesis of novel substituted 4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine derivatives and their antibacterial and antifungal activities". . p. 4130 - 4134. Retrieved 2015.
• 2、 Morandini, Andrea,Leonetti, Benedetta,Riello, Pietro,Sole, Roberto,Gatto, Vanessa,Caligiuri, Isabella,Rizzolio, Flavio,Beghetto, Valentina. "Synthesis and Antimicrobial Evaluation of Bis-morpholine Triazine Quaternary Ammonium Salts". supporting information. p. 3172 - 3176. Retrieved 2021/08/03.
• 3、 Green, Sebastian P.,Payne, Andrew D.,Wheelhouse, Katherine M.,Hallett, Jason P.,Miller, Philip W.,Bull, James A.. "Diazo-Transfer Reagent 2-Azido-4,6-dimethoxy-1,3,5-triazine Displays Highly Exothermic Decomposition Comparable to Tosyl Azide". . p. 5893 - 5898. Retrieved 2019/05/06.