Ethyl 1-methyl-2-oxocyclooctanecarboxylate

Base Information

• Chemical Name: Ethyl 1-methyl-2-oxocyclooctanecarboxylate
• CAS No.: 38931-65-6
• Molecular Formula: C12H20O3
• Molecular Weight: 212.289
• NSC Number: 125578
• DSSTox Substance ID: DTXSID30298716
• Nikkaji Number: J1.164.565H
• Mol file: 38931-65-6.mol

Synonyms:38931-65-6;Ethyl 1-methyl-2-oxocyclooctanecarboxylate;Ethyl 1-methyl-2-oxocyclooctane-1-carboxylate;SCHEMBL7722193;DTXSID30298716;LJBXWIOXCORKAT-UHFFFAOYSA-N;NSC125578;NSC-125578;Ethyl 1-methyl-2-oxocyclooctanecarboxylate #

Chemical Property of Ethyl 1-methyl-2-oxocyclooctanecarboxylate

Chemical Property:

• Vapor Pressure: 0.00185mmHg at 25°C
• Boiling Point: 292.3°Cat760mmHg
• Flash Point: 123.8°C
• Density: 1.006g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCCCC1=O)C

Technology Process of Ethyl 1-methyl-2-oxocyclooctanecarboxylate

There total 2 articles about Ethyl 1-methyl-2-oxocyclooctanecarboxylate 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: 80.0%

ethyl 2-oxocyclooctane-1-carboxylate (4017-56-5) + methyl iodide (74-88-4) → 1-Methyl-2-oxocyclooctan-1-carbonsaeure-ethylester (38931-65-6)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In chloroform; water; for 0.25h;

DOI:10.1002/hlca.19860690605

Reference yield:

cycloactanone (502-49-8) → 1-Methyl-2-oxocyclooctan-1-carbonsaeure-ethylester (38931-65-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH, EtOH / xylene

2: (i) NaH, benzene, (ii) /BRN= 969135/

With ethanol; sodium hydride; In xylene;

DOI:10.1016/S0040-4020(01)99237-3

Reference yield: 76.0%

1-Methyl-2-oxocyclooctan-1-carbonsaeure-ethylester (38931-65-6) + triisopropylsilyl trifluoromethanesulfonate (80522-42-5) → C21H40O3Si (1229591-80-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1002/chem.200903586

upstream raw materials:

ethyl 2-oxocyclooctane-1-carboxylate

methyl iodide

cycloactanone

Downstream raw materials:

C₂₁H₄₀O₃Si