MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 146028 | Name: Malonitrile

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Malonitrile is a chemical compound with potential applications in organic synthesis and as a building block for the production of various pharmaceuticals and agrochemicals. It is commonly used in the synthesis of nitrile derivatives, which are important intermediates in the creation of bioactive molecules. Malonitrile’s mechanism of action in chemical reactions involves its reactivity as a nucleophile, often participating in condensation reactions to form larger, more complex structures. This reactivity makes it valuable in the production of compounds used in medicinal chemistry, as well as in the development of crop protection agents.

Chemical Structure

Malonitrile
Malonitrile
CAS#4341-85-9

Theoretical Analysis

MedKoo Cat#: 146028

Name: Malonitrile

CAS#: 4341-85-9

Chemical Formula: C21H20O11

Exact Mass: 448.1000

Molecular Weight: 448.38

Elemental Analysis: C, 56.25; H, 4.50; O, 39.25

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
Malonitrile;
IUPAC/Chemical Name
2-hydroxysuccinonitrile
InChi Key
JXPDNDHCMMOJPC-UHFFFAOYSA-N
InChi Code
1S/C4H4N2O/c5-2-1-4(7)3-6/h4,7H,1H2
SMILES Code
OC(CC#N)C#N
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 448.38 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Li H, Feng X, Guo Y, Chen D, Li R, Ren X, Jiang X, Dong Y, Wang B. A malonitrile-functionalized metal-organic framework for hydrogen sulfide detection and selective amino acid molecular recognition. Sci Rep. 2014 Mar 13;4:4366. doi: 10.1038/srep04366. PMID: 24621614; PMCID: PMC3952146. 2: Kwon H, Lee K, Kim HJ. Coumarin-malonitrile conjugate as a fluorescence turn- on probe for biothiols and its cellular expression. Chem Commun (Camb). 2011 Feb 14;47(6):1773-5. doi: 10.1039/c0cc04092d. Epub 2010 Dec 2. PMID: 21127785. 3: The MICAD Research Team. [123I/125I]6-Iodo-2-(4´-dimethylamino)-phenyl- imidazo[1,2-a]pyridine. 2005 Apr 18 [updated 2006 May 12]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641808. 4: Leung K. [S-methyl-11C]N,N-Dimethyl-4- (6-(methylthio)imidazo[1,2-a]pyridine-2-yl)aniline. 2007 Oct 6 [updated 2007 Nov 19]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641606. 5: Leung K. [11C]2-(2-[2-Dimethylaminothiazol-5-yl]ethenyl)-6-(2-[flu oro]ethoxy)benzoxazole. 2007 May 18 [updated 2008 Aug 26]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641416. 6: The MICAD Research Team. 1-[4-(3-[18F]Fluoropropoxy)-3-methoxyphen yl]-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one. 2006 Oct 17 [updated 2006 Oct 24]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641872. 7: The MICAD Research Team. [11C]4-N-Methylamino-4´-hydroxystilbene. 2005 Feb 27 [updated 2005 Mar 3]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641523. 8: Silva WL, de Lima Mdo C, Galdino SL, Pitta IR, De Simone CA. 2-Amino-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile. Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3161. doi: 10.1107/S1600536811045338. Epub 2011 Nov 2. PMID: 22199685; PMCID: PMC3238832. 9: Schmid E, Bauchinger M, Ziegler-Skylakakis K, Andrae U. 2-Chlorobenzylidene malonitrile (CS) causes spindle disturbances in V79 Chinese hamster cells. Mutat Res. 1989 Jun;226(2):133-6. doi: 10.1016/0165-7992(89)90056-0. PMID: 2499783. 10: Ziegler-Skylakakis K, Summer KH, Andrae U. Mutagenicity and cytotoxicity of 2-chlorobenzylidene malonitrile (CS) and metabolites in V79 Chinese hamster cells. Arch Toxicol. 1989;63(4):314-9. doi: 10.1007/BF00278645. PMID: 2504130. 11: Feuillastre S, Chajistamatiou AS, Potamitis C, Zervou M, Zoumpoulakis P, Chrysina ED, Praly JP, Vidal S. C-Glucosylated malonitrile as a key intermediate towards carbohydrate-based glycogen phosphorylase inhibitors. Bioorg Med Chem. 2012 Sep 15;20(18):5592-9. doi: 10.1016/j.bmc.2012.07.033. Epub 2012 Aug 2. PMID: 22910227. 12: Hirashima SI. [Development of Green Asymmetric Organocatalytic Synthesis]. Yakugaku Zasshi. 2021;141(10):1137-1145. Japanese. doi: 10.1248/yakushi.21-00130. PMID: 34602510. 13: The MICAD Research Team. 6-Iodo-2-[4'-N-(2-[18F]fluoroethy l)methylamino]phenylimidazo[1,2-a]pyridine. 2006 Dec 13 [updated 2006 Dec 31]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641673. 14: Kamath S, Buolamwini JK. Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors. J Med Chem. 2003 Oct 23;46(22):4657-68. doi: 10.1021/jm030065n. PMID: 14561085. 15: The MICAD Research Team. 2-(4'-Dimethylaminophenyl)-6-[125I]iodobenzothiazole. 2007 Jan 8 [updated 2007 Jan 18]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641253. 16: The MICAD Research Team. [11C]5-Hydroxy-2-(4-methyaminophenyl)benzofuran. 2006 Oct 7 [updated 2006 Oct 16]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641729. 17: Sawama Y. [Exhaustive Syntheses of Deuterium-labelled Compounds]. Yakugaku Zasshi. 2022;142(2):139-144. Japanese. doi: 10.1248/yakushi.21-00173-2. PMID: 35110450. 18: Gao X, Di CA, Hu Y, Yang X, Fan H, Zhang F, Liu Y, Li H, Zhu D. Core- expanded naphthalene diimides fused with 2-(1,3-dithiol-2-ylidene)malonitrile groups for high-performance, ambient-stable, solution-processed n-channel organic thin film transistors. J Am Chem Soc. 2010 Mar 24;132(11):3697-9. doi: 10.1021/ja910667y. PMID: 20187650. 19: Guo Z, Yan C, Zhu WH. High-Performance Quinoline-Malononitrile Core as a Building Block for the Diversity-Oriented Synthesis of AIEgens. Angew Chem Int Ed Engl. 2020 Jun 15;59(25):9812-9825. doi: 10.1002/anie.201913249. Epub 2020 Mar 6. PMID: 31725932. 20: Wu K, Husain A, Barry R. Acute generalized exanthematous pustulosis induced by a topical agent: 2-chlorobenzylidene malonitrile (CS) gas. Br J Dermatol. 2011 Jan;164(1):227-8. doi: 10.1111/j.1365-2133.2010.10070.x. Epub 2010 Nov 29. PMID: 20874788.

View History

Homochlorcyclizine

Homochlorcyclizine