Cas no 54714-49-7 ((Diisopropylamino)acetonitrile)
(Diisopropylamino)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile,2-[bis(1-methylethyl)amino]-
- (Diisopropylamino)acetonitrile
- DIISOPROPYLAMINOACETONITRILE
- Diisopropylamino-acetonitril
- Diisopropylamino-essigsaeure-nitril
- N,N-diisopropylaminoacetonitrile
- N,N-diisopropyl-glycine nitrile
- N,N-Diisopropyl-glycin-nitril
- N-cyanomethyl-N,N-diisopropylamine
- FT-0654159
- A830339
- 19699-38-8
- [Di(propan-2-yl)amino]acetonitrile
- 2-[di(propan-2-yl)amino]acetonitrile
- NSC26718
- Acetonitrile, [bis(1-methylethyl)amino]-
- SCHEMBL953248
- AKOS005216576
- KRHUHTLKXFFVGB-UHFFFAOYSA-N
- DTXSID70941456
- 54714-49-7
- 2-(diisopropylamino)acetonitrile
- NSC-26718
-
- MDL: MFCD00026373
- Inchi: 1S/C8H16N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,6H2,1-4H3
- InChI Key: KRHUHTLKXFFVGB-UHFFFAOYSA-N
- SMILES: N(CC#N)(C(C)C)C(C)C
Computed Properties
- Exact Mass: 140.13100
- Monoisotopic Mass: 140.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 121
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.6
- Topological Polar Surface Area: 27A^2
Experimental Properties
- Density: 0.865
- Boiling Point: 61°C/3/ 10mm
- Flash Point: 67.4°C
- Refractive Index: 1.439
- PSA: 27.03000
- LogP: 1.62878
(Diisopropylamino)acetonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
(Diisopropylamino)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D679815-500mg |
(Diisopropylamino)acetonitrile |
54714-49-7 | 500mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D679815-1g |
(Diisopropylamino)acetonitrile |
54714-49-7 | 1g |
$ 65.00 | 2022-06-05 | ||
| TRC | D679815-5g |
(Diisopropylamino)acetonitrile |
54714-49-7 | 5g |
$ 210.00 | 2022-06-05 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1645472-500g |
2-(Diisopropylamino)acetonitrile |
54714-49-7 | 98% | 500g |
¥9153.00 | 2024-05-09 |
(Diisopropylamino)acetonitrile Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
Additional information on (Diisopropylamino)acetonitrile
Recent Advances in the Study of (Diisopropylamino)acetonitrile (CAS: 54714-49-7) in Chemical Biology and Pharmaceutical Research
(Diisopropylamino)acetonitrile (CAS: 54714-49-7) is a versatile chemical intermediate that has garnered significant attention in recent years due to its potential applications in pharmaceutical synthesis and chemical biology. This compound, characterized by its unique structural features, has been explored for its role in the development of novel therapeutic agents and as a building block in organic synthesis. Recent studies have highlighted its utility in the synthesis of bioactive molecules, including kinase inhibitors and other small-molecule drugs.
One of the key areas of research involving (Diisopropylamino)acetonitrile is its use in the synthesis of nitrogen-containing heterocycles, which are prevalent in many FDA-approved drugs. A 2023 study published in the *Journal of Medicinal Chemistry* demonstrated its efficacy as a precursor in the construction of pyridine and pyrimidine derivatives, which are critical scaffolds in anticancer and antiviral drug development. The study reported a high-yield, one-pot synthesis method that leverages the reactivity of (Diisopropylamino)acetonitrile under mild conditions, offering a greener alternative to traditional synthetic routes.
In addition to its synthetic applications, (Diisopropylamino)acetonitrile has also been investigated for its potential biological activities. A recent preprint on *bioRxiv* explored its inhibitory effects on certain enzymes involved in inflammatory pathways. The researchers found that derivatives of (Diisopropylamino)acetonitrile exhibited moderate to strong inhibition of cyclooxygenase-2 (COX-2), suggesting its potential as a lead compound for anti-inflammatory drug development. However, further in vivo studies are needed to validate these findings and assess the compound's pharmacokinetic properties.
Another notable advancement is the use of (Diisopropylamino)acetonitrile in the field of chemical proteomics. A 2024 study in *Nature Chemical Biology* described its incorporation into activity-based probes (ABPs) for profiling serine hydrolases, a class of enzymes implicated in various diseases. The study highlighted the compound's ability to selectively label active-site residues, providing valuable insights into enzyme function and facilitating the discovery of new drug targets.
Despite these promising developments, challenges remain in the large-scale production and application of (Diisopropylamino)acetonitrile. Issues such as stability under storage conditions and scalability of synthetic methods need to be addressed to fully realize its potential in industrial settings. Recent patents filed by major pharmaceutical companies indicate a growing interest in addressing these challenges, with innovations in purification techniques and catalytic processes.
In conclusion, (Diisopropylamino)acetonitrile (CAS: 54714-49-7) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate and its emerging biological activities make it a valuable tool for drug discovery and development. Future research should focus on optimizing its synthetic routes, exploring its mechanistic roles in biological systems, and translating these findings into clinically relevant applications.
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