Ethyl cyanoimidoformate

Base Information

• Chemical Name: Ethyl cyanoimidoformate
• CAS No.: 4428-98-2
• Molecular Formula: C4H6N2O
• Molecular Weight: 98.1044
• Hs Code.: 2926909090
• European Community (EC) Number: 819-900-7
• DSSTox Substance ID: DTXSID101276477
• Nikkaji Number: J1.457.607J
• Mol file: 4428-98-2.mol

Synonyms:ethyl cyanoimidoformate;4428-98-2;ethyl N-cyanoformimidate;ethyl N-cyanomethanimidate;Methanimidic acid, N-cyano-, ethyl ester;ethoxymethylenecyanamide;ethoxymethylene cyanamide;N-Cyanoethoxymethaneimine;ethyl N-cyano-formimidate;ethyl n-cyano-methanimidate;N-cyanomethanimidic ethyl ester;ethyl N-cyanomethanecarboximidate;MWIGGUZSIJZLJM-UHFFFAOYSA-N;DTXSID101276477;N-cyanoformimidic acid ethyl ester;N-cyanoimidoformic acid ethyl ester;n-cyanomethanimidic acid ethyl ester;MFCD21332874;AKOS022186634;AKOS028108819;(Z)-(ETHYL N-CYANOMETHANIMIDATE);LS-09570;(Z)-Ethyl N-cyanoformimidate, AldrichCPR;EN300-64848

Chemical Property of Ethyl cyanoimidoformate

Chemical Property:

• Boiling Point: 116℃
• Flash Point: 24℃
• PSA: 45.38000
• Density: 0.94
• LogP: 0.53228
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 99.5

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl cyanoimidoformate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=NC#N
• Uses: Ethyl Cyanoimidoformate is a useful reagent in the preparation of C-nucleosides as potential HCV agents.

Technology Process of Ethyl cyanoimidoformate

There total 2 articles about Ethyl cyanoimidoformate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

CYANAMID (420-04-2) + orthoformic acid triethyl ester (122-51-0) → N-cyanomethanimidic acid ethyl ester (4428-98-2)

Guidance literature:

for 2h; Heating;

DOI:10.1055/s-1995-4017

Reference yield:

→ N-cyanomethanimidic acid ethyl ester (4428-98-2)

Guidance literature:

Orthoameisensaeure-triethylester, Cyanamid, Δ;

Reference yield: 99.0%

N-cyanomethanimidic acid ethyl ester (4428-98-2) + s-trans-N2-{[(E)-1-(4-methoxyphenyl)-ethylidene]-amino}guanidine (132685-73-5) → C12H14N6O (132901-81-6)

Guidance literature:

triethylamine; In acetonitrile; for 1h; Ambient temperature;

upstream raw materials:

CYANAMID

orthoformic acid triethyl ester

Downstream raw materials:

C₇H₆N₄

5-azaadenine

2-Amino-4-thioxo-3,4-dihydropyrimidine-5-carbonitrile

C₁₀H₉ClN₆

Refernces

• 1、 MacIejewski, John P.,Gao, Haixiang,Shreeve, Jean'Ne M.. "Synthetic methods for preparing ionic liquids containing hypophosphite and carbon-extended dicyanamide anions". . p. 2947 - 2950. Retrieved 2013/03/28.
• 2、 -. "Metabolite of xanthine phosphodiesterase 5 inhibitor and derivatives thereof useful for treatment of erectile dysfunction". Page/Page column 4. . Retrieved 2008/06/13.