Ethyl formimidate hydrochloride

Base Information

• Chemical Name: Ethyl formimidate hydrochloride
• CAS No.: 16694-46-5
• Molecular Formula: C3H8ClNO
• Molecular Weight: 109.556
• Hs Code.: 2925290090
• European Community (EC) Number: 629-096-8
• DSSTox Substance ID: DTXSID80503221
• NSC Number: 102062
• Mol file: 16694-46-5.mol

Synonyms:Ethyl formimidate hydrochloride;16694-46-5;Ethyl methanimidate hydrochloride;Ethyl formimidate HCl;ethyl methanimidate;hydrochloride;ETHYLFORMIMIDATEHYDROCHLORIDE;Methanimidic acid, ethyl ester, hydrochloride (9CI);MFCD00192154;Methanimidic acid, ethyl ester, hydrochloride;ethylformimidate hydrochloride;SCHEMBL307783;ethyl imidoformate hydrochloride;DTXSID80503221;ethylformimidate hydrochloride salt;JPUTTYRVDANTBN-UHFFFAOYSA-N;BCP29282;NSC102062;AKOS015915297;NSC 102062;NSC-102062;formimidic acid ethyl ester hydrochloride;SY041120;FT-0650743;Ethyl methanimidate--hydrogen chloride (1/1);J-010322

Chemical Property of Ethyl formimidate hydrochloride

Chemical Property:

• Vapor Pressure: 597mmHg at 25°C
• Melting Point: 75 °C (dec.)(lit.)
• Refractive Index: 1.388
• Boiling Point: 31.7 °C at 760 mmHg
• Flash Point: 9.7 °C
• PSA: 33.08000
• Density: 0.88g/cm3
• LogP: 1.53170
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 109.0294416
• Heavy Atom Count: 6
• Complexity: 28.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl formimidate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=N.Cl
• Uses: Ethyl Formimidate Hydrochloride, is a building block used in various chemical synthesis. It can be used in the preparation of s-triazines, 2,3:5,6-di-O-isopropylidene-α- and -β-5-amino-4-ethoxycarbonyl or -carbamoyl-imidazole D-mannofuranosides. It can also be used as an reactant in the synthesis Bredinin via amination of an acyclic precursor, and Amidine conjugates of the ornithine moiety of an antifungal having therapeutic properties. Reactant involved in the synthesis of biologically active molecules including:Bredinin via amination of an acyclic precursorAmidine conjugates of the ornithine moiety of an antifungalReactant involved in: Intermolecular cyclizationMo-catalyzed asymmetric ring-closing metathesis for synthesis of cyclid amides and aminesSynthesis of peptidic 1-cyanopyrrolidines

Technology Process of Ethyl formimidate hydrochloride

There total 4 articles about Ethyl formimidate hydrochloride 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: 90.0%

ethanol (64-17-5) + hydrogen cyanide (74-90-8) → ethyl formimidate hydrochloride (16694-46-5)

Guidance literature:

ethanol; hydrogen cyanide; In diethyl ether; at -20 - -10 ℃;

With hydrogenchloride; In diethyl ether; at -20 - 10 ℃;

DOI:10.1021/ja01170a046

Reference yield: 66.0%

ethanol (64-17-5) + formamide (77287-34-4,77287-35-5,60100-09-6) → ethyl formimidate hydrochloride (16694-46-5)

Guidance literature:

With benzoyl chloride; In diethyl ether; at 0 ℃; for 1.5h;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + diethyl ether (60-29-7,927820-24-4) + ethanol (64-17-5) + hydrogen cyanide (74-90-8) → ethyl formimidate hydrochloride (16694-46-5)

Guidance literature:

bei Kuehlung;

upstream raw materials:

ethanol

hydrogen cyanide

hydrogenchloride

diethyl ether

Downstream raw materials:

2-(diethoxymethyl)furan

orthoformic acid triethyl ester

4-(diphenylmethyl)-1-piperidinemethanimine hydrochloride

3-phenyl-5-thioxo-4,5-dihydro-[1,3,4]thiadiazolium betaine

Refernces

• 1、 -. "METHOD FOR PREPARING 5-CHLORO-N-({(5S)-2-OXO-3-[4-(5,6-DIHYDRO-4H-[1,2,4]TRIAZIN-1-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)THIOPHEN-2-CARBOXAMIDE DERIVATIVE AND INTERMEDIATE USED THEREIN". Page/Page column 20. . Retrieved 2011/02/24.
• 2、 Cavalieri, Liebe F.,Tinker, John F.,Bendich, Aaron.. "A synthesis of adenine. The incorporation of isotopes of nitrogen and carbon". . p. 533 - 536. Retrieved 2014/01/06.