Cyclohexanecarboximidic acid ethyl ester

Base Information

• Chemical Name: Cyclohexanecarboximidic acid ethyl ester
• CAS No.: 52186-77-3
• Molecular Formula: C9H17NO
• Molecular Weight: 155.24
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20483331
• Nikkaji Number: J2.666.953G
• Wikidata: Q82320573
• Mol file: 52186-77-3.mol

Synonyms:CYCLOHEXANECARBOXIMIDIC ACID ETHYL ESTER;52186-77-3;ETHYL CYCLOHEXANECARBOXIMIDATE;SCHEMBL507070;DTXSID20483331;AKOS010211564;FT-0726837

Chemical Property of Cyclohexanecarboximidic acid ethyl ester

Chemical Property:

• PSA: 33.08000
• LogP: 2.68020
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 155.131014166
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanecarboximidicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C1CCCCC1

Technology Process of Cyclohexanecarboximidic acid ethyl ester

There total 1 articles about Cyclohexanecarboximidic acid ethyl ester 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:

ethyl cyclohexanecarboximidate hydrochloride (43002-69-3) → cyclohexanecarboximidic acid ethyl ester (52186-77-3)

Guidance literature:

With potassium carbonate; In water; Cooling with ice;

DOI:10.1055/s-0029-1218718

Reference yield: 92.0%

cyclohexanecarboximidic acid ethyl ester (52186-77-3) + diexo-3-Aza-4-oxotricyclo<4.2.1.02,5>non-7-ene (14735-70-7,14805-31-3,924272-78-6,670221-11-1) → 2-Cyclohexyl-3H-pyrimidin-4-one (106690-53-3)

Guidance literature:

hydrogenchloride; In ethanol; chlorobenzene; for 12h; Heating;

DOI:10.1055/s-1987-27922

Reference yield: 86.0%

2-aminopyridine (504-29-0) + cyclohexanecarboximidic acid ethyl ester (52186-77-3) → 2-cyclohexyl[1,2,4]triazolo[1,5-a]pyridine

Guidance literature:

With [bis(acetoxy)iodo]benzene; acetic acid; In acetonitrile; at 20 ℃;

DOI:10.1055/s-0037-1611854

upstream raw materials:

ethyl cyclohexanecarboximidate hydrochloride

Downstream raw materials:

4-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-pyridine

5-cyclohexyl-1H-[1,2,4]triazol-3-ylamine; nitrate

2-Cyclohexyl-3H-pyrimidin-4-one

2-cyclohexyl-4ar,5t,8t,8ac-tetrahydro-5,8-methano-4(3H)-quinazolinone