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

Product Name: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
CAS No.: 865758-96-9
Chemical Name: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
Synonyms: 2-((6-Chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile;Alogliptin-6;2-((6-chloro-3-methyl;alogliptina impurity 2;alogliptin impurities9;Alogliptin 6-Chloro Imp;8-Naphthaleneethanamine;AlogliptinIntermediateE;alogliptin impurities156;Noradrenaline Impurity 48
CBNumber: CB52549580
Molecular Formula: C13H10ClN3O2
Formula Weight: 275.69
MOL File: 865758-96-9.mol

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

Melting point:: 162-164°C
Boiling point:: 418.0±55.0 °C(Predicted)
Density: 1.44
storage temp.: 2-8°C
solubility: DMSO (Soluble, Sonicated), Methanol (Slightly, Heated, Sonicated)
form: Solid
pka: -3.65±0.40(Predicted)
color: White to Off-White
InChI: InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3
InChIKey: BVUJISIVAHYNLI-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC=C1CN1C(=O)N(C)C(=O)C=C1Cl

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: C365470
Product name: 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile
Packaging: 100mg
Price: $1470
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0362888
Product name: 2-((6-CHLORO-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL)BENZONITRILE
Purity: 95.00%
Packaging: 5MG
Price: $505.73
Updated: 2021/12/16

AK Scientific

Product number: Z1750
Product name: 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Packaging: 100g
Price: $721
Updated: 2021/12/16

AK Scientific

Product number: Z1750
Product name: 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Packaging: 5g
Price: $73
Updated: 2021/12/16

ChemScene

Product number: CS-M2296
Product name: 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
Packaging: 25g
Price: $89
Updated: 2021/12/16

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

Chemical Properties

White Solid

Uses

Alogliptin (A575425) intermediate.

Synthesis

4318-56-3

22115-41-9

865758-96-9

Under stirring conditions, 20.8 g of dichloromethane, 3.21 g of 6-chloro-3-methyluracil, 4.51 g of 2-cyanobenzyl bromide and 5.16 g of DIPEA were sequentially added to the reaction flask.The reaction system was warmed up to refluxing temperature (40-45 °C) and the progress of the reaction was monitored by HPLC until the complete disappearance of 3-methyl-6-chlorouracil. Upon completion of the reaction, the reaction system was cooled to 20-25 °C and the dichloromethane was removed by distillation under reduced pressure. Water was added to the residue, stirred for 1 hour and filtered. The filter cake was washed with water, followed by ethanol and stirred at 20-25 °C for 1 hour. After filtration again, the filter cake was washed with ethanol and dried under reduced pressure at 60-70 °C to afford 5.28 g of white crystalline solid, i.e., the target product 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile (hereinafter referred to as the intermediate), in 95.8% yield.

References

[1] Organic Letters, 2018, vol. 20, # 2, p. 473 - 476
[2] Patent: CN107954978, 2018, A. Location in patent: Paragraph 0042; 0043; 0051
[3] Patent: CN103819450, 2016, B. Location in patent: Paragraph 0034; 0038; 0039
[4] Patent: CN105367546, 2016, A. Location in patent: Paragraph 0013
[5] Patent: CN107556249, 2018, A. Location in patent: Paragraph 027; 0028

2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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

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View Lastest Price from 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD

Product: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile 865758-96-9
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99.72%
Supply Ability: 200 kg
Release date: 2024-05-14

Henan Aochuang Chemical Co.,Ltd.

Product: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile 865758-96-9
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-29

Hebei Dangtong Import and export Co LTD

Product: 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile 865758-96-9
Price: US $100.00-60.00/kilograms
Min. Order: 100kilograms
Purity: 99%
Supply Ability: 100tons
Release date: 2023-03-01

865758-96-9, 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrileRelated Search:

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]- 2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE (S)-Alogliptin Benzoate Salt Alogliptin Related Compound 14 2-(AMinoMethyl)benzonitrile hydrochloride Alogliptin Related Compound 26 Alogliptin benzoate impurity K Alogliptin benzoate Alogliptin Impurity 34 Alogliptin Related Compound 32 Alogliptin Impurity 35 Alogliptin Related Compound 21 Alogliptin Impurity B (R)-2-((6-(3-((3-(2-cyanobenzyl)-1-Methyl-2,6-dioxo-1,2,3,6-tetrahydropyriMidin-4-yl)aMino)piperidin-1-yl)-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile Alogliptin Impurity 16 Alogliptin Impurity 10 Alogliptin Related Compound 31 Alogliptin Related Compound 24

2-((6-Chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2H)-yl)methyl)benzonitrile

1:2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

Alogliptin Related Compound 28

2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)

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

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

2-((6-Chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile

alogliptina impurity 2

6-chloro-1-(2-isocyanobenzyl)-3-MethylpyriMidine-2,4(1H,3H)-dione

2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile 865758-96-9

2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)

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

Alogliptin Benzoate interMediate E

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

Alogliptin 6-Chloro Imp

Alogliptin-6

2-((6-chloro-3-methyl

Alogliptin 6-Chloro Impurity

2-[(6-CHLORO-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)METHYL]BENZONITRILE CAS: 865758-96-9

Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(...

alogliptin impurities156

alogliptin impurities9

TIANFUCHEM--865758-96-9--2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile factory price

8-Naphthaleneethanamine

2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)

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

2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitril

Noradrenaline Impurity 48

AlogliptinIntermediateE

865758-96-9

Intermediates

INTERMEDIATE

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Aromatics

Heterocycles

Intermediates & Fine Chemicals

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865758-96-9