Cas no 874-77-1 (2-(4-Methylpiperazin-1-yl)acetonitrile)
2-(4-Methylpiperazin-1-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Methylpiperazin-1-yl)acetonitrile
- 1-(4-METHYLPIPERAZINE)ACETONITRILE
- 1-Piperazineacetonitrile,4-methyl-
- 4-methyl-1-Piperazineacetonitrile
- (4-methylpiperazin-1-yl)acetonitrile
- (4-Methyl-piperazino)-acetonitril
- 1-Methyl-4-cyanmethyl-piperazin
- 4-Methyl-piperazinyl-(1)-acetonitril
- BB_SC-8593
- N-Methyl-N'-cyanomethylpiperazin
- 4-Methyl-1-piperazineacetonitrile (ACI)
- MFCD03840696
- 1-Piperazineacetonitrile, 4-methyl-
- STK824705
- 1-cyanomethyl-4-methylpiperazine
- AC-23532
- 874-77-1
- (4-Methyl-piperazin-yl)-acetonitrile
- SCHEMBL154492
- SY013366
- DB-058149
- EN300-31914
- (4-Methyl-piperazin-1-yl)-acetonitrile, AldrichCPR
- Z169228240
- (4-METHYL-PIPERAZIN-1-YL)-ACETONITRILE
- AKOS000170643
- DTXSID70441966
- ALBB-033166
- LS-12507
- F2189-0994
- CHEMBL388454
- CS-0106259
- XCUQQNRWWCWVOP-UHFFFAOYSA-N
-
- MDL: MFCD03840696
- Inchi: 1S/C7H13N3/c1-9-4-6-10(3-2-8)7-5-9/h3-7H2,1H3
- InChI Key: XCUQQNRWWCWVOP-UHFFFAOYSA-N
- SMILES: N#CCN1CCN(C)CC1
Computed Properties
- Exact Mass: 139.11100
- Monoisotopic Mass: 139.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 30.3?2
Experimental Properties
- Density: 0.998
- Boiling Point: 230.2℃ at 760 mmHg
- Flash Point: 89.486°C
- Refractive Index: 1.478
- PSA: 30.27000
- LogP: -0.36682
- Vapor Pressure: 0.1±0.5 mmHg at 25°C
2-(4-Methylpiperazin-1-yl)acetonitrile Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code: 22-36
- Safety Instruction: 26
-
Hazardous Material Identification:
- HazardClass:6.1
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(4-Methylpiperazin-1-yl)acetonitrile Customs Data
- HS CODE:2933599090
- Customs Data:
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-(4-Methylpiperazin-1-yl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A139001893-5g |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 97% | 5g |
$621.30 | 2023-08-31 | |
| Alichem | A139001893-25g |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 97% | 25g |
$1100.54 | 2023-08-31 | |
| Fluorochem | 080345-1g |
4-Methyl-1-piperazineacetonitrile |
874-77-1 | 95% | 1g |
£76.00 | 2022-03-01 | |
| Fluorochem | 080345-5g |
4-Methyl-1-piperazineacetonitrile |
874-77-1 | 95% | 5g |
£225.00 | 2022-03-01 | |
| Chemenu | CM169922-5g |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 97% | 5g |
$533 | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SH745-200mg |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 95+% | 200mg |
151.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SH745-1g |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 95+% | 1g |
511.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SH745-50mg |
2-(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 95+% | 50mg |
64.0CNY | 2021-08-04 | |
| Apollo Scientific | OR17667-1g |
(4-Methylpiperazin-1-yl)acetonitrile |
874-77-1 | 1g |
£85.00 | 2023-09-01 | ||
| TRC | M725953-100mg |
4-Methyl-1-piperazineacetonitrile |
874-77-1 | 100mg |
$ 50.00 | 2022-06-03 |
2-(4-Methylpiperazin-1-yl)acetonitrile Production Method
Production Method 1
Production Method 2
Production Method 3
Production Method 4
1.2 Solvents: Water ; rt
2.1 Solvents: 1,4-Dioxane ; 12 h, rt
Production Method 5
Production Method 6
2.1 Solvents: Dimethyl sulfoxide ; rt; 8 - 12 h, rt
2-(4-Methylpiperazin-1-yl)acetonitrile Raw materials
- 1-Methylpiperazine
- 1H-Benzotriazole
- 2-Bromoacetonitrile
- 1-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-benzotriazole
- [(4-Methylpiperazino)methyl]trimethylsilane
- 1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-
2-(4-Methylpiperazin-1-yl)acetonitrile Preparation Products
2-(4-Methylpiperazin-1-yl)acetonitrile Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
Additional information on 2-(4-Methylpiperazin-1-yl)acetonitrile
Introduction to 2-(4-Methylpiperazin-1-yl)acetonitrile (CAS No. 874-77-1)
2-(4-Methylpiperazin-1-yl)acetonitrile, with the chemical formula C7H10N2, is a significant compound in the field of pharmaceutical chemistry and drug development. This compound is characterized by its unique structural features, which include a piperazine ring substituted with a methyl group at the 4-position and an acetonitrile moiety attached to the 1-position of the piperazine ring. The CAS number 874-77-1 uniquely identifies this substance, ensuring precise classification and recognition within scientific and industrial contexts.
The structure of 2-(4-Methylpiperazin-1-yl)acetonitrile plays a crucial role in its pharmacological properties. The presence of the piperazine ring contributes to its ability to interact with various biological targets, making it a valuable intermediate in the synthesis of pharmaceutical agents. Specifically, the 4-Methylpiperazin-1-yl substituent enhances the compound's solubility and bioavailability, which are critical factors in drug formulation and delivery.
In recent years, research has highlighted the importance of piperazine derivatives in medicinal chemistry. These compounds have been extensively studied for their potential applications in treating a wide range of diseases, including central nervous system disorders, cardiovascular diseases, and infectious diseases. The acetonitrile group in 2-(4-Methylpiperazin-1-yl)acetonitrile not only influences its reactivity but also contributes to its role as a versatile building block in organic synthesis.
One of the most notable applications of 2-(4-Methylpiperazin-1-yl)acetonitrile is in the development of antipsychotic and antidepressant drugs. Piperazine derivatives are known for their ability to modulate neurotransmitter systems, particularly serotonin and dopamine pathways. The methyl group at the 4-position of the piperazine ring enhances binding affinity to certain receptors, which can lead to improved therapeutic efficacy. Recent studies have demonstrated that compounds incorporating this moiety exhibit promising results in preclinical trials for treating mental health disorders.
The pharmaceutical industry has also explored the use of 2-(4-Methylpiperazin-1-yl)acetonitrile in the synthesis of kinase inhibitors. Kinases are enzymes that play a critical role in cell signaling pathways, and their dysregulation is associated with various cancers and inflammatory diseases. By modifying the structure of this compound, researchers have developed novel inhibitors that target specific kinases, leading to more personalized and effective treatments. For instance, derivatives of 2-(4-Methylpiperazin-1-yl)acetonitrile have shown promise in inhibiting tyrosine kinases, which are involved in tumor growth and metastasis.
Another area where this compound has gained attention is in the development of anti-inflammatory agents. Chronic inflammation is a hallmark of many diseases, including arthritis and autoimmune disorders. The biochemical properties of 2-(4-Methylpiperazin-1-yl)acetonitrile allow it to interact with inflammatory mediators, thereby reducing oxidative stress and inhibiting pro-inflammatory cytokine production. Preliminary research indicates that this compound may serve as a lead molecule for developing new anti-inflammatory drugs with improved safety profiles compared to existing therapies.
The synthesis of 2-(4-Methylpiperazin-1-yl)acetonitrile involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques, such as catalytic hydrogenation and nucleophilic substitution, are often employed to achieve high yields and purity. The availability of high-quality starting materials and well-established synthetic routes has made this compound accessible for industrial-scale production, facilitating its use in various research and commercial applications.
In conclusion, 2-(4-Methylpiperazin-1-yl)acetonitrile (CAS No. 874-77-1) is a versatile compound with significant potential in pharmaceutical research and drug development. Its unique structure, characterized by the presence of a 4-Methylpiperazin-1-yl group and an acetonitrile moiety, makes it a valuable intermediate for synthesizing bioactive molecules targeting various disease pathways. Recent advancements in medicinal chemistry have underscored its importance in developing novel therapeutic agents for mental health disorders, cancer treatment, and inflammation management. As research continues to uncover new applications for this compound, its role in advancing pharmaceutical innovation is expected to grow further.
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