ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE

Base Information

• Chemical Name: ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE
• CAS No.: 4017-56-5
• Molecular Formula: C11H18O3
• Molecular Weight: 198.262
• Hs Code.: 29183000
• Mol file: 4017-56-5.mol

Synonyms:2-Carbethoxycyclooctanone;2-Oxocyclooctanecarboxylic acid ethyl ester;Ethyl1-cyclooctanone-2-carboxylate;Ethyl 2-cyclooctanonecarboxylate;Ethyl2-oxocyclooctanecarboxylate;NSC 125577;NSC 18993;

Chemical Property of ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.00242mmHg at 25°C
• Refractive Index: n20/D 1.483(lit.)
• Boiling Point: 287.9 °C at 760 mmHg
• PKA: 12.32±0.20(Predicted)
• Flash Point: 122.7 °C
• PSA: 43.37000
• Density: 1.029 g/cm³
• LogP: 2.08900

Purity/Quality:

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

Ethyl2-Oxocyclooctanecarboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Uses: Ethyl 2-oxo-1-cyclooctanecarboxylate (2-carbethoxycyclooctanone) may be used in the synthesis of 2-carbethoxy-2-cyclooctenone.

Technology Process of ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE

There total 4 articles about ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE 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: 97.0%

cycloactanone (502-49-8) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 2-oxocyclooctane-1-carboxylate (4017-56-5)

Guidance literature:

With potassium hydride; In paraffin; benzene; for 0.5h; Heating;

DOI:10.1139/v96-046

Reference yield: 74.0%

diazoacetic acid ethyl ester (623-73-4) + cycloheptanone (502-42-1) → ethyl 2-oxocyclooctane-1-carboxylate (4017-56-5)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; for 24h; Ambient temperature;

DOI:10.1139/v97-108

Reference yield:

cycloactanone (502-49-8) + oxalic acid diethyl ester (95-92-1) → ethyl 2-oxocyclooctane-1-carboxylate (4017-56-5)

Guidance literature:

Multistep reaction; (i) NaOEt, EtOH, (ii) (pyrolysis);

DOI:10.1021/ja00872a025

upstream raw materials:

cycloactanone

Diethyl carbonate

diazoacetic acid ethyl ester

cycloheptanone

Downstream raw materials:

1-Azido-2-oxo-cyclooctanecarboxylic acid ethyl ester

6-oxo-7,8,9,10,11,12-hexahydro-6H-cycloocta[c]chromen-3-yl 4-(tert-butyl)benzenesulfonate

Refernces

• 1、 Santra, Surojit,Maji, Ujjwal,Guin, Joyram. "Enantioselective α-Amination of Acyclic 1,3-Dicarbonyls Catalyzed by N-Heterocyclic Carbene". supporting information. p. 468 - 473. Retrieved 2020/02/04.
• 2、 El-Gamal, Mohammed I.,Lee, Woo-Seok,Shin, Ji-Sun,Oh, Chang-Hyun,Lee, Kyung-Tae,Choi, Jungseung,Myoung, Nohsun,Baek, Daejin. "Synthesis of New Tricyclic and Tetracyclic Fused Coumarin Sulfonate Derivatives and Their Inhibitory Effects on LPS-Induced Nitric Oxide and PGE2 Productions in RAW 264.7 Macrophages: Part 2". . p. 853 - 863. Retrieved 2016/11/09.