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Chemistry
Heterocyclic Building Blocks
Triazoles
1-Methyl-1H-1,2,4-triazole-3-carbonitrile
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Triazoles
Nitriles

[ CAS No. 1142927-05-6 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1142927-05-6
Chemical Structure| 1142927-05-6
Structure of 1142927-05-6 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 1142927-05-6 ]

COA NMR CNMR HPLC LC-MS

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SDS
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Alternatived Products of [ 1142927-05-6 ]

Product Details of [ 1142927-05-6 ]

CAS No. :1142927-05-6MDL No. :MFCD17241674
Formula : C4H4N4 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :108.10Pubchem ID :60710317
Synonyms :

Computed Properties of [ 1142927-05-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1142927-05-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1142927-05-6 ]

  • Downstream synthetic route of [ 1142927-05-6 ]

[ 1142927-05-6 ] Synthesis Path-Downstream   1~1

YieldReaction ConditionsOperation in experiment
85% With potassium carbonate; In acetonitrile; at 70.0℃; for 12.0h; General procedure: [00267] Step A: Ethyl 4-(2-chloro-4-fluorophenyl)-1,6-dimethyl-2-(thiazol-2-yI)-1 ,4- dihydropyrimidine-5-carboxylateA mixture of ethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)- I ,4-dihydro pyrimidine-5-carboxylate (2 g, 5.3 mmol), iodomethane (0.97 g, 6.84 mmol) and potassium carbonate (1.47 g, 10.6 mmol) in acetonitrile (50 mL) was stirred at 70 C for 12 hours, and cooled to 25 C. The reaction mixture was filtered and the filtrate was concentrated in vacuo. The residue was purified by a silica gel column chromatography (PETROLEUM ETHER/EtOAc (V/V) 3/1) to give the title compound as a tawny solid (1.0 g, 48%). The compound was characterized by the following spectroscopic data:MS-ESI: (ESI, pos.ion) m/z: 394.0 [M+1f1H NMR (400 MHz, CDC1): 6 7.86 (d, 1H). 7.54-7.50 (m, IH), 7.48 (d. IH), 7.09-7.07 (m, IH), 6.95-6.90 (m, 1H), 5.92 (s, 1H), 4.09 (q, 2H), 3.54 (s, 3H), 2.49 (s, 3H), 1.19 (t, 3H).
85% With potassium carbonate; In acetonitrile; at 70.0℃; for 12.0h; General procedure: A mixture of ethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate (2 g, 5.3 mmol), iodomethane (0.97 g, 6.84 mmol) and potassium carbonate (1.47 g, 10.6 mmol) in acetonitrile (50 mL) was stirred at 70 C. for 12 hours, and cooled to 25 C. The reaction mixture was filtered and the filtrate was concentrated in vacuo. The residue was purified by a silica gel column chromatography (PETROLEUM ETHER/EtOAc (V/V)=3/1) to give the title compound as a tawny solid (1.0 g, 48%). The compound was characterized by the following spectroscopic data: MS-ESI: (ESI, pos.ion) m/z: 394.0 [M+1]+; 1H NMR (400 MHz, CDCl3): delta 7.86 (d, 1H), 7.54-7.50 (m, 1H), 7.48 (d, 1H), 7.09-7.07 (m, 1H), 6.95-6.90 (m, 1H), 5.92 (s, 1H), 4.09 (q, 2H), 3.54 (s, 3H), 2.49 (s, 3H), 1.19 (t, 3H).

Tags: 1142927-05-6 synthesis path| 1142927-05-6 SDS| 1142927-05-6 COA| 1142927-05-6 purity| 1142927-05-6 application| 1142927-05-6 NMR| 1142927-05-6 COA| 1142927-05-6 structure

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