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865758-96-9

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CAS No.: 865758-96-9
Name: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
Article Data: 32
Molecular Structure:
Molecular Structure of 865758-96-9 (2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile)
Formula: C13H10 Cl N3 O2
Molecular Weight: 275.694
Synonyms: 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H;
EINECS: 695-742-0
Density: 1.44
Melting Point: 162-164°C
Boiling Point: 418.0±55.0 °C(Predicted)
Solubility: DMSO, Ehtyl Acetate, Methanol
Appearance: White to Off-White Solid
PSA: 67.79000
LogP: 1.12038
Related products
Synthetic route
4318-56-3

3-methyl-6-chlorouracil

22115-41-9

2-(bromomethyl)benzonitrile

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 3-methyl-6-chlorouracil With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 23℃; for 0.25h; Schlenk technique; Inert atmosphere;
Stage #2: 2-(bromomethyl)benzonitrile In tetrahydrofuran at 65℃; for 2h; Schlenk technique; Inert atmosphere;		96%
With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine at 60 - 65℃; for 3h; Large scale;96.42%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 40 - 45℃; Solvent; Temperature;95.8%
4318-56-3

3-methyl-6-chlorouracil

612-13-5

2-cyanobenzyl chloride

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 60℃; for 1h;85.62%
With potassium carbonate; potassium iodide In N,N-dimethyl acetamide at 50 - 100℃;
865758-95-8

2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile

77-78-1

dimethyl sulfate

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h;
Stage #2: dimethyl sulfate In N,N-dimethyl-formamide for 12h; Solvent; Reagent/catalyst;		84.78%
865758-95-8

2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile

74-88-4

methyl iodide

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With sodium hydride; lithium bromide In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.333333h;
Stage #2: methyl iodide In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 35℃; Further stages.;		72%
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With sodium hydride; lithium bromide In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;
Stage #2: methyl iodide In tetrahydrofuran; N,N-dimethyl-formamide at 20 - 35℃; Inert atmosphere;		72%
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With sodium hydride; lithium bromide In N,N-dimethyl-formamide at 0℃; for 0.5h; Inert atmosphere;
Stage #2: methyl iodide In N,N-dimethyl-formamide at 80℃; Inert atmosphere;		70%
74-88-4

methyl iodide

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With sodium hydride; lithium bromide In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 0.333333h;
Stage #2: methyl iodide In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 20 - 35℃;		72%
Stage #1: 2-[(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]benzonitrile With sodium hydride; lithium bromide In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.333333h;
Stage #2: methyl iodide In tetrahydrofuran; N,N-dimethyl-formamide at 20 - 35℃;		72%
1246610-72-9

1-(2-cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
With phosphorus pentachloride; N-benzyl-N,N,N-triethylammonium chloride; trichlorophosphate In acetonitrile for 4 - 5h; Product distribution / selectivity; Reflux;70.5%
1246610-72-9

1-(2-cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione

A

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

B

C13H10ClN3O2

Conditions
ConditionsYield
Stage #1: 1-(2-cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione With trichlorophosphate at 0℃;
Stage #2: With water at 0 - 110℃;		A 37%
B n/a
22115-41-9

2-(bromomethyl)benzonitrile

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: NaH / dimethylformamide; dimethylsulfoxide / 0.5 h / 0 °C
1.2: LiBr / dimethylformamide; 1,2-dimethoxy-ethane / 0.25 h / 0 - 20 °C
1.3: 54 percent / dimethylformamide; dimethylsulfoxide / 0 - 20 °C
2.1: NaH; LiBr / dimethylformamide; tetrahydrofuran / 0.33 h / 20 °C
2.2: 72 percent / dimethylformamide; tetrahydrofuran / 0 - 35 °C
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydride / dimethyl sulfoxide; N,N-dimethyl-formamide; mineral oil / 0.5 h / 0 °C / Inert atmosphere
1.2: 0.25 h / 0 °C / Inert atmosphere
1.3: 0 - 20 °C / Inert atmosphere
2.1: sodium hydride; lithium bromide / tetrahydrofuran; N,N-dimethyl-formamide; mineral oil / 0.33 h / 20 °C / Inert atmosphere
2.2: 20 - 35 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one; toluene / 70 - 80 °C
2: potassium carbonate / acetone / 50 - 60 °C
View Scheme
2565-47-1

1-methyl-2,4,6-pyrimidinetrione

22115-41-9

2-(bromomethyl)benzonitrile

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

Conditions
ConditionsYield
Stage #1: 1-methyl-2,4,6-pyrimidinetrione With N,N-dimethyl-aniline; trichlorophosphate In toluene at 90 - 95℃; for 2h;
Stage #2: 2-(bromomethyl)benzonitrile With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 60 - 65℃; Temperature; Concentration;		40 g
309956-78-3

(R)-piperidin-3-ylcarbamic acid tert-butyl ester

865758-96-9

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

1246610-74-1

2-[[6-[(3R)-3-tert-butoxycarbonylamino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-3-methyl-1(2H)-pyrimidinyl]methyl]benzonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 75℃; for 6h; Product distribution / selectivity;96%
With potassium carbonate at 80 - 90℃;90%
With tetrabutylammomium bromide; potassium carbonate; sodium iodide In acetonitrile for 25h; Reflux;89.3%
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    2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile

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    Benzonitrile,2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-

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  • 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h) -pyriMidinyl)Methyl]benzonitrile

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    2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h) -pyriMidinyl)Methyl]benzonitrile

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  • 2-(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile

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    2-(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile

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    Product Details Grade: pharmaceutical grade Purity:99%+ ProductionCapacity: 1000 Kilogram/Month Scope of use: For scientific research only(The product must be used legally) Our Advantage 1. Best quality with competitive price. 2. Quick shipping,

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    2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile

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    2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile Basic information Product Name: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile Synonyms: 2-((6-Chloro-3,4-dihydro-3-methyl-2,4

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    Product name: 2-((6-Chloro-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-yl)Methyl)Benzonitrile CAS No.：865758-96-9 Molecule Formula：C13H10ClN3O2 Molecule Weight：N/A Purity: 99.0% Package: 25kg/drum Description：White crystalline powder

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    2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile

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    Zhenyu biotech exported this product to many countries and regions at best price. if you are looking for the material's manufacturer or supplier in china, zhenyu biotech is your best choice. pls contact with us freely for getting detailed

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Alogliptin intermediate.