Methyl 2-oxocyclooctane-1-carboxylate

Base Information

• Chemical Name: Methyl 2-oxocyclooctane-1-carboxylate
• CAS No.: 5452-73-3
• Molecular Formula: C10H16 O3
• Molecular Weight: 184.235
• Hs Code.: 2918300090
• NSC Number: 18982
• DSSTox Substance ID: DTXSID40280884
• Nikkaji Number: J1.257.587D
• Mol file: 5452-73-3.mol

Synonyms:5452-73-3;methyl 2-oxocyclooctane-1-carboxylate;methyl 2-oxocyclooctanecarboxylate;Cyclooctanecarboxylic acid, 2-oxo-, methyl ester;2-Oxo-1-cyclooctanecarboxylate methyl ester;NSC18982;ghl.PD_Mitscher_leg0.27;SCHEMBL3767660;methyl2-oxocyclooctanecarboxylate;DTXSID40280884;FAADEEISKNEKDP-UHFFFAOYSA-N;MFCD19441207;NSC-18982;AKOS024257378;AB76311;AS-61647;EN300-3050956

Chemical Property of Methyl 2-oxocyclooctane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00665mmHg at 25°C
• Boiling Point: 270.9°Cat760mmHg
• Flash Point: 114.7°C
• PSA: 43.37000
• Density: 1.046g/cm³
• LogP: 1.69890
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

2-Oxo-1-cyclooctanecarboxylateMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCCCCC1=O

Technology Process of Methyl 2-oxocyclooctane-1-carboxylate

There total 13 articles about Methyl 2-oxocyclooctane-1-carboxylate 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%

cycloactanone (502-49-8) + carbonic acid dimethyl ester (616-38-6) → methyl 2-oxocyclooctanecarboxylate (5452-73-3)

Guidance literature:

With sodium hydride; In 1,4-dioxane; at 90 ℃; Reflux;

DOI:10.1021/ol503541z

Reference yield: 81.0%

Cyclooctan (292-64-8) + carbonic acid dimethyl ester (616-38-6) → methyl 2-oxocyclooctanecarboxylate (5452-73-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; for 4h; Reflux;

DOI:10.1002/chem.201905570

Reference yield: 80.0%

methyl 2-oxobicyclo<5.1.0>octane-1-carboxylate (154184-58-4) → methyl 2-oxocyclooctanecarboxylate (5452-73-3) + 2-Methyl-7-oxo-cycloheptanecarboxylic acid methyl ester

Guidance literature:

With lithium perchlorate; triethylamine; In acetonitrile; for 3h; Yields of byproduct given; Irradiation;

DOI:10.1016/S0040-4039(00)61464-8

upstream raw materials:

Dimethyl azelate

Methyl-9-bromo-3-oxononanoat

cycloactanone

methyl cyanoformate

Downstream raw materials:

methyl 2-oxo-1-((phenylseleno)methyl)cyclooctane-1-carboxylate

methyl 1-(p-methoxyphenyl)-2-oxocyclooctanecarboxylate

2-Oxo-1-phenylselanyl-cyclooctanecarboxylic acid methyl ester

5,6,7,8,9,10-Hexahydro-cyclooctapyrimidine-2,4-diol