2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER
• CAS No.: 1128-00-3
• Molecular Formula: C9H15NO2
• Molecular Weight: 169.224
• Hs Code.: 29224999
• Mol file: 1128-00-3.mol

Synonyms:Ethyl2-amino-1-cyclohexene-1-carboxylate;Ethyl 2-amino-1-cyclohexenecarboxylicacid;Ethyl 2-aminocyclohexenecarboxylate;NSC 225254;

Chemical Property of 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Appearance/Colour: White or light yellow crystal
• Vapor Pressure: 0.00211mmHg at 25°C
• Melting Point: 70-74 ºC
• Refractive Index: 1.523
• Boiling Point: 290.1 ºC at 760 mmHg
• PKA: 6.97±0.20(Predicted)
• Flash Point: 129.3 ºC
• PSA: 52.32000
• Density: 1.13 g/cm³
• LogP: 2.03660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

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

Ethyl2-Amino-1-cyclohexene-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER

There total 8 articles about 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC 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: 100.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → ethyl 2-aminocyclohex-1-ene-1-carboxylate (1128-00-3)

Guidance literature:

With ammonium carbamate; In methanol; at 20 ℃;

Reference yield: 62.0%

ethyl bromoacetate (105-36-2) + methanesulfonic acid 4-cyano-butyl ester (460356-12-1) → ethyl 2-aminocyclohex-1-ene-1-carboxylate (1128-00-3)

Guidance literature:

With methanesulfonic acid; zinc; In tetrahydrofuran; for 5h; chemoselective reaction; Reflux; Inert atmosphere;

DOI:10.1021/jo201964a

Reference yield: 42.0%

δ-chlorovaleronitrile (6280-87-1) + ethyl bromoacetate (105-36-2) → ethyl 2-aminocyclohex-1-ene-1-carboxylate (1128-00-3) + ethyl 2-(2-piperidinylidene)acetate (25654-24-4,108139-97-5,50796-18-4)

Guidance literature:

δ-chlorovaleronitrile; ethyl bromoacetate; With methanesulfonic acid; zinc; In tetrahydrofuran; Inert atmosphere; Reflux;

With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1055/s-0031-1290814

upstream raw materials:

ethyl 2-oxocyclohexane carboxylate

ammonia

δ-chlorovaleronitrile

ethyl bromoacetate

Downstream raw materials:

ethyl 2-[(2-chlorobenzoyl)amino]cyclohex-1-ene-1-carboxylate

ethyl 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohex-1-enecarboxylate

ethyl 2-((4-methylphenyl)sulfonamido)cyclohex-1-ene-1-carboxylate

(E)-2-(3-(3-bromo-4,5-dimethoxyphenyl)acrylamido)cyclohex-1-enecarboxylic acid

Refernces

• 1、 Bobileva, Olga,Bokaldere, Rasma,Gailite, Vija,Kaula, Ilze,Ikaunieks, Martins,Duburs, Gunars,Petrovska, Ramona,Mandrika, Ilona,Klovins, Janis,Loza, Einars. "Synthesis and evaluation of (E)-2-(acrylamido)cyclohex-1-enecarboxylic acid derivatives as HCA1, HCA2, and HCA3 receptor agonists". . p. 3654 - 3669. Retrieved 2014/07/07.
• 2、 -. "PYRIDINE DERIVATIVES AS MICROBIOCIDES". Page/Page column 60. . Retrieved 2013/03/26.