1-Methylheptyl 2-cyanoacetate
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1-Methylheptyl 2-cyanoacetate
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CAS No:
52688-08-1
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Formula:
C11H19NO2
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Chemical Name:
1-Methylheptyl 2-cyanoacetate
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Synonyms:
Acetic acid,2-cyano-,1-methylheptyl ester;Acetic acid,cyano-,1-methylheptyl ester;1-Methylheptyl 2-cyanoacetate;1-Methylheptyl cyanoacetate
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CAS No:
1-Methylheptyl 2-cyanoacetate Use and Manufacturing
General procedure: 1.40 moles of butyl cyanoacetate and 2.1 moles of methylene diacetate, obtained through the preparative example 1, were added to a 1 L reactor. Subsequently, the mixture was heated to a temperature comprised between 120 and 130 C. Then 5 mol% of piperazine and 15 mol% of p-toluenesulfonic acid monohydrate were added. The reaction was monitored by gas chromatography or nuclear magnetic resonance every 30 min. After 1 hour, the reaction was terminated, and the n-butyl cyanoacrylate was obtained with a selectivity of 94%, where the selectivity is understood as the amount of monomer produced with respect to the cyanoacetate that has reacted. Subsequently, acetic acid was removed under vacuum and stabilizers were added to the residue for the distillation of the monomer.To a mixture of 42 g of paraformaldehyde (1.4 moles) in 100 mL of heptane, 0.54 g of piperidine (6 mmoles) were added in catalytic amounts and the resulting mixture was heated at 70 C and kept at that temperature for 10 min. 250.8 g of 2-Octyl cyanoacetate is reacted with an equimolar quantity of formaldehyde in the presence of a basic catalyst. Once the condensation reaction has ended, the solvent is removed and phosphoric acid and p-toluenesulfonic acid are added. Thermal depolymerization of the prepolymer is then accomplished, the collection vessel containing a stock solution of sulfuric acid. The monomeric crude product is additionally stabilized by adding butylhydroxyanisole (BHA) and BF3 from a stock solution of BF3×2H2O, and then purified by distillation, stabilization of the monomer in the collection vessel being accomplished using a suitable quantity of SO2 and BHA. 2-Octyl cyanoacrylate is obtained at high purity; it cures under said conditions on an ABS surface in 45 s, and its adhesive shear strength on nylon under said conditions is 2.3 N/mm2.To a stirred mixture of PRIMENE 81-R iminium-MSA (5.86 g, 20 mmol) and In this example, the following two 2-alkyl substituted cyanoacetates were obtained by direct esterification of cyanoacetic acid with a variety of alcohols in a 1:1 molar ratio in the presence of two/three drops of 2% concentrated sulphuric acid as a catalyst and toluene as solvent, to allow for the azeotropic removal of the reaction water.
Computed Properties
Molecular Weight:197.27
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:197.141578849
Monoisotopic Mass:197.141578849
Topological Polar Surface Area:50.1
Heavy Atom Count:14
Complexity:205
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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