3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE

Product Name: 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE
CAS No.: 859850-90-1
Chemical Name: 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE
Synonyms: 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE;Benzonitrile,3-[(4-methyl-1-piperazinyl)methyl]-
CBNumber: CB7302116
Molecular Formula: C13H17N3
Formula Weight: 215.29
MOL File: 859850-90-1.mol

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3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE Property

storage temp.: 2-8°C

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Safety

HS Code: 2933599590

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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

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC

Product number: M321285
Product name: 3-((4-Methylpiperazin-1-yl)methyl)benzonitrile
Packaging: 50mg
Price: $55
Updated: 2021/12/16

TRC

Product number: M321285
Product name: 3-((4-Methylpiperazin-1-yl)methyl)benzonitrile
Packaging: 100mg
Price: $85
Updated: 2021/12/16

TRC

Product number: M321285
Product name: 3-((4-Methylpiperazin-1-yl)methyl)benzonitrile
Packaging: 1g
Price: $440
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H37-1-49
Product name: 3-[(4-Methylpiperazin-1-yl)methyl]benzonitrile
Packaging: 1g
Price: $184
Updated: 2021/12/16

AK Scientific

Product number: 7575CQ
Product name: 3-((4-Methylpiperazin-1-yl)methyl)benzonitrile
Packaging: 10g
Price: $392
Updated: 2021/12/16

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3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE Chemical Properties,Usage,Production

Uses

3-?((4-?Methylpiperazin-?1-?yl)?methyl)?benzonitrile is involved in the preparation of N-Hydroxyphenylacrylamides and N-Hydroxypyridin-2-ylacrylamides as novel histone deacetylase inhibitors.

Synthesis

109-01-3

24964-64-5

859850-90-1

General procedure for the synthesis of 3-((4-methylpiperazin-1-yl)methyl)benzonitrile from N-methylpiperazine and 3-cyanobenzaldehyde: Step 1: 3-Formylbenzonitrile (1.5 g, 11.45 mmol), N-methylpiperazine (1.49 g, 14.9 mmol) and sodium triacetoxyborohydride (3.63 g, 17.18 mmol) were dissolved in dichloromethane (75 ml), acetic acid (0.851 ml, 14.9 mmol) was added and the reaction was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with dichloromethane and washed with 1 M sodium carbonate solution. The organic phase was dried with anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography (eluent: dichloromethane/methanol/ammonia = 97:3:0.5) to give 3-(4-methylpiperazin-1-ylmethyl)benzonitrile 1.7 g in 70% yield.

References

[1] Patent: WO2007/113249, 2007, A2. Location in patent: Page/Page column 60-61
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 2, p. 822 - 839
[3] Patent: EP2033956, 2009, A1. Location in patent: Page/Page column 13
[4] Patent: WO2006/130075, 2006, A1. Location in patent: Page/Page column 25-26

3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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859850-90-1, 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILERelated Search:

3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE 2-(4-BOC-PIPERAZINYL)-2-(3-CYANO-PHENYL)ACETIC ACID 4-ALLYL-N-BENZYL-1-(3-CYANOBENZOYL)PIPERAZINE-2-CARBOXAMIDE 4-BENZYL-1-(3-CYANOBENZOYL)-N-(2-FURYLMETHYL)PIPERAZINE-2-CARBOXAMIDE PEAKDALE 1006813 4-BENZYL-1-(3-CYANOBENZOYL)-N-[2-(DIMETHYLAMINO)ETHYL]PIPERAZINE-2-CARBOXAMIDE N-BENZYL-1-(3-CYANOBENZOYL)-4-(2-FURYLMETHYL)PIPERAZINE-2-CARBOXAMIDE 3-([4-(2-FURYLMETHYL)-2-(PYRROLIDIN-1-YLCARBONYL)PIPERAZIN-1-YL]CARBONYL)BENZONITRILE 3-((4-[8-(4-METHYLPHENYL)QUINOLIN-2-YL]PIPERAZIN-1-YL)METHYL)BENZONITRILE PEAKDALE 1007218 N-BENZYL-4-[(5-CHLORO-2-THIENYL)METHYL]-1-(3-CYANOBENZOYL)PIPERAZINE-2-CARBOXAMIDE N,4-DIBENZYL-1-(3-CYANOBENZOYL)PIPERAZINE-2-CARBOXAMIDE 3-([4-ALLYL-2-(PYRROLIDIN-1-YLCARBONYL)PIPERAZIN-1-YL]CARBONYL)BENZONITRILE N-BENZYL-1-(3-CYANOBENZOYL)-4-[2-(PHENYLSULFONYL)ETHYL]PIPERAZINE-2-CARBOXAMIDE 3-([4-BENZYL-2-(MORPHOLIN-4-YLCARBONYL)PIPERAZIN-1-YL]CARBONYL)BENZONITRILE 3-([4-BENZYL-2-(PYRROLIDIN-1-YLCARBONYL)PIPERAZIN-1-YL]CARBONYL)BENZONITRILE PEAKDALE 1006993 3-([4-[2-(PHENYLSULFONYL)ETHYL]-2-(PYRROLIDIN-1-YLCARBONYL)PIPERAZIN-1-YL]CARBONYL)BENZONITRILE

3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE

Benzonitrile,3-[(4-methyl-1-piperazinyl)methyl]-

859850-90-1