CAS 6629-04-5

Ethyl N-(2-cyanoacetyl)carbamate

Description:

Ethyl N-(2-cyanoacetyl)carbamate, with the CAS number 6629-04-5, is an organic compound that belongs to the class of carbamates. It features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) attached to a nitrogen atom (N) that is also connected to an ethyl group and a cyanoacetyl moiety. This compound is typically a white to off-white solid and is soluble in polar organic solvents. Ethyl N-(2-cyanoacetyl)carbamate is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in various chemical reactions, such as nucleophilic substitutions and cycloadditions. Its structure allows for the introduction of diverse functional groups, making it a versatile intermediate in synthetic chemistry. As with many chemical substances, handling should be done with care, following appropriate safety protocols to mitigate any potential hazards associated with its use.

Formula: C₆H₈N₂O₃

InChI: InChI=1/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)

InChI key: InChIKey=HSOGVWWWGVFXGF-UHFFFAOYSA-N

SMILES: C(NC(OCC)=O)(CC#N)=O

Synonyms:

• Carbamic acid, (cyanoacetyl)-, ethyl ester
• Carbamic acid, N-(2-cyanoacetyl)-, ethyl ester
• Cyanoacetylurethan
• Ethyl (2-cyanoacetamido)formate
• Ethyl 2-cyanoacetylcarbamate
• Ethyl N-(2-cyanoacetyl)carbamate
• Ethyl N-(cyanoacetyl)carbamate
• Ethyl cyanoacetylcarbamate
• Ethyl(Cyanoacetyl)Carbamate
• N-Carbethoxy-2-cyanoacetamide
• NSC 59709
• Ethyl (2-cyanoacetyl)carbamate
• N-Cyanoacetylurethane
• Cyanoacetylcarbamic acid ethyl ester
• N-(Cyanoacetyl)carbamic acid ethyl ester
• N-Cyanoacetyl ethyl carbamate
• N-Cyanourethane
• N-Cyanoacetylurethane 98%
• N-Cyanoacetylurethane, GC 99%
• cyanoacetyl-carbamicaciethylester
• n-cyanoacetylethylcarbamate
• (Cyanoacetyl)carbamic acid ethyl ester
• Ethyl cyanacetylcarbamate
• 2-Cyanoacetylurethane
• N-Cyanoacetylurethane,Ethyl cyanoacetylcarbamate
• Ethyl (2-cyanoacetyl)

N-Cyanoacetylurethane

CAS: 6629-04-5

Formula: C₆H₈N₂O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 156.1393

Ref: IN-DA003SWJ

Ethyl N-(2-cyanoacetyl)carbamate

CAS: 6629-04-5

Ethyl N-(2-cyanoacetyl)carbamate

Formula: C₆H₈N₂O₃

Purity: 98%

Color and Shape: faint yellow/faint orange solid

Molecular weight: 156.14g/mol

Ref: 54-OR42047

N-Cyanoacetyl Urethane

CAS: 6629-04-5

Formula: C₆H₈N₂O₃

Molecular weight: 156.14

Ref: 4Z-U-013003

N-Cyanoacetylurethane

CAS: 6629-04-5

Applications N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the synthesis of cathespin K inhibitors.
References Bach, A. et al.: Org. Biomol. Chem., 8, 4281 (2010); Rankovic, Z. et al.: Bioorg. Med. Chem. Lett., 20, 1488 (2010);

Formula: C₆H₈N₂O₃

Color and Shape: Neat

Molecular weight: 156.14

Ref: TR-C955400

N-Cyanoacetylurethane

CAS: 6629-04-5

N-Cyanoacetylurethane is a heterocyclic compound that is an isomer of urethane. The synthesis of the molecule starts with the reaction of ethyl orthoformate and paraformaldehyde to form an amide. The amide is then reacted with chloroacetic acid to form the desired product. N-Cyanoacetylurethane has been shown to be an antifungal agent, inhibiting the growth of yeast cells by disrupting their cell membranes. This drug also has a reductive elimination when in acidic environments, leading to its decomposition into carbon dioxide and ammonia which can be toxic if inhaled.

Formula: C₆H₈N₂O₃

Purity: Min. 95%

Molecular weight: 156.14 g/mol

Ref: 3D-FC12513

N-Cyanoacetylurethane

CAS: 6629-04-5

Formula: C₆H₈N₂O₃

Purity: 95%

Color and Shape: Flakes

Molecular weight: 156.141

Ref: 10-F024254

N-Cyanoacetylurethane-13C3,15N2

Controlled Product

CAS: 6629-04-5

Applications N-Cyanoacetylurethane-13C3,15N2 is an intermediate for the synthesis of Diclazuril-13C3,15N2 (D436202), which is the labelled analogue of Diclazuril (D436200). Diclazuril is a nucleotide analogue with broad-spectrum anticoccidial activity and a coccidiostat.
References Maes, L., et al.: J. Parasitol., 74, 931 (1988)

Formula: C₃C₃H₈₁₅NNO₃

Color and Shape: Neat

Molecular weight: 160.111

Ref: TR-C955402