ChemicalBook--->CAS DataBase List--->3140-73-6

3140-73-6

3140-73-6 Structure

3140-73-6 Structure
IdentificationMore
[Name]

2-Chloro-4,6-dimethoxy-1,3,5-triazine
[CAS]

3140-73-6
[Synonyms]

2-CHLORO-4,6-DIMETHOXY-1,3,5-TRIAZINE
AKOS 89995
CDMT
Chlorodimethoxytriazine
2-CHLORO-4,6-DIMETHOXY-1,3,5-TRIAZINE, 9 7%
2-CHLORO-4,6-DIMETHOXY-1,3,5-TRIAZINE (CDMT)
2-CHLORO-4,6-DIMETHOXY-TRIAZINE
2-CHLORO 4,6-DIMETHOX 1,3,5-TRIAZINE
4-CHLORO-2,6-DIMETHOXY-1,3.5-TRIAZINE
1,3,5-Triazine, 2-chloro-4,6-dimethoxy-
2-CHLORO-4,6-DIMETHOXY-1,3,5-TRIAZINE 98%
2,4-Dimethoxy-6-chloro-1,3,5-triazine
2,4-Dimethoxy-6-chloro-s-triazine
[EINECS(EC#)]

221-541-0
[Molecular Formula]

C5H6ClN3O2
[MDL Number]

MFCD00075607
[Molecular Weight]

175.57
[MOL File]

3140-73-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to almost white crystalline powder
[Melting point ]

71-74 °C (lit.)
[Boiling point ]

99-100 °C (1 mmHg)
[density ]

1.7917 (rough estimate)
[vapor pressure ]

5.8Pa at 25℃
[refractive index ]

1.5870 (estimate)
[Fp ]

99-100°C/1mm
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Crystalline Powder
[pka]

0.33±0.10(Predicted)
[color ]

White to almost white
[Water Solubility ]

insoluble
[Detection Methods]

HPLC
[BRN ]

148988
[InChI]

1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3
[InChIKey]

GPIQOFWTZXXOOV-UHFFFAOYSA-N
[SMILES]

COc1nc(Cl)nc(OC)n1
[LogP]

2.105 at 25℃
[CAS DataBase Reference]

3140-73-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3077
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29336900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Petroleum ether-->Sodium bicarbonate-->Cyanuric chloride
[Preparation Products]

Tulipalin A
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloro-4,6-dimethoxy-1,3,5-triazine(3140-73-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to almost white crystalline powder
[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.
[General Description]

2-Chloro-4,6-dimethoxy-1,3,5-triazine is a stable, yet highly reactive, peptide coupling agent. It is reported as useful coupling reagent for the purification of peptides. Catalytic amide-forming reactions of 2-chloro-4,6-dimethoxy-1,3,5-triazine has been reported. Procedure for the preparation of multikilogram quantities of 2-chloro-4,6-dimethoxy-1,3,5-triazine has been reported.
[Synthesis]

A preparation method of 2-chloro-4,6-dimethoxy-1,3,5-triazine comprises the following steps: using cyanuric chloride and sodium methoxide solid as reaction raw materials and N, N-dimethylformamide as a reaction solvent, gradually heating to obtain a 2-chloro-4,6-dimethoxy-1,3,5-triazine crude product, and finally, recrystallizing with heptane for purification. The reaction temperature is controlled to prepare the product, and the yield is up to 91%.
[References]

[1] Molecules, 2016, vol. 21, # 6,
[2] Patent: WO2016/103185, 2016, A2. Location in patent: Page/Page column 34
[3] Journal of Materials Chemistry C, 2018, vol. 6, # 13, p. 3288 - 3297
[4] Patent: CN103497211, 2016, B. Location in patent: Paragraph 0113
[5] Synthetic Communications, 1996, vol. 26, # 18, p. 3491 - 3494
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-4,6-dimethoxy-1,3,5-triazine(3140-73-6)1HNMR
2-Chloro-4,6-dimethoxy-1,3,5-triazine(3140-73-6)Raman
2-Chloro-4,6-dimethoxy-1,3,5-triazine(3140-73-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-4,6-dimethoxy-1,3,5-triazine, 98%(3140-73-6)
[Alfa Aesar]

2-Chloro-4,6-dimethoxy-1,3,5-triazine, 98%(3140-73-6)
[Sigma Aldrich]

3140-73-6(sigmaaldrich)
[TCI AMERICA]

2-Chloro-4,6-dimethoxy-1,3,5-triazine,>97.0%(LC)(T)(3140-73-6)
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