| Identification | More | [Name]
1-Amino-1-cyclopropanecarbonitrile hydrochloride | [CAS]
127946-77-4 | [Synonyms]
1-AMINO-1-CYCLOPROPANECARBONITRILE HCL
1-AMINO-1-CYCLOPROPANECARBONITRILE HYDROCHLORIDE
1-AMINOCYCLOPROPANECARBONITRILEHYDROCHLORIDE
1-AMINO-CYCLOPROPYL CYANIC HYDROCHLORIDE
1-aminocyclopropionitrile HCl
1-AMINOCYCLOPROPIONITRILE HYDROCHLORIDE
1-AMINO-CYCLOPROPYL CYANIC HYDROCHLORIDE 98.0+% | [EINECS(EC#)]
629-718-8 | [Molecular Formula]
C4H7ClN2 | [MDL Number]
MFCD04114063 | [Molecular Weight]
118.56 | [MOL File]
127946-77-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
223°C | [density ]
1.244 at 20℃ | [vapor pressure ]
1.475hPa at 20℃ | [storage temp. ]
Store at 0-5°C | [Water Solubility ]
Soluble in water | [form ]
Powder | [color ]
White to Almost white | [InChI]
InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H | [InChIKey]
PCEIEQLJYDMRFZ-UHFFFAOYSA-N | [SMILES]
C1(N)(CC1)C#N.Cl | [LogP]
2.72 at 25℃ and pH5.5 | [CAS DataBase Reference]
127946-77-4(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
1-Amino-1-cyclopropanecarbonitrile hydrochloride serves as a starting material for constructing the pyrimidine ring and synthesizing the heterocyclic building block 1-(pyrimidin-2-yl)cyclopropan-1-amine hydrochloride, where it is converted into an N-Cbz protected amidine intermediate[1]. The compound couples with acyl chloride intermediates, such as those derived from 4-octylbenzoic acid, to form benzamide derivatives[2]. | [Synthesis]
An aqueous solution of sodium hydroxide (91 g, 2.275 mol) was added to a 2L flask and cooled to zero degrees under nitrogen before benzyltriethylammonium chloride (2.0 g, 0.0088 mol), (phenylmethyleneammonium) acetonitrile (47.89 g), and toluene (100 mL) | [References]
[1]
Schäfer, G., Ahmetovic, M., Fleischer, T., Abele, S. (2020). Development of a Scalable Route for a Highly Polar Heterocyclic Aminocyclopropyl Building Block. Organic Process Research Development, 24(9), 1735–1742. https://doi.org/10.1021/acs.oprd.0c00358
[2]
Mathews, T. P., Kennedy, A. J., Kharel, Y., Kennedy, P. C., Nicoara, O., Sunkara, M., Morris, A. J., Wamhoff, B. R., Lynch, K. R., Macdonald, T. L. (2010). Discovery, Biological Evaluation, and Structure−Activity Relationship of Amidine Based Sphingosine Kinase Inhibitors. Journal of Medicinal Chemistry, 53(7), 2766–2778. https://doi.org/10.1021/jm901860h |
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