Methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

Base Information

• Chemical Name: Methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
• CAS No.: 57763-56-1
• Molecular Formula: C13H12O4
• Molecular Weight: 232.232
• NSC Number: 98482
• DSSTox Substance ID: DTXSID70294878
• Nikkaji Number: J428.825D
• Mol file: 57763-56-1.mol

Synonyms:57763-56-1;methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;NSC98482;DTXSID70294878;NSC-98482;AKOS004123536;AKOS017439510

Chemical Property of Methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

Chemical Property:

• Vapor Pressure: 3.74E-06mmHg at 25°C
• Boiling Point: 385.7°Cat760mmHg
• Flash Point: 172.9°C
• Density: 1.262g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.07355886
• Heavy Atom Count: 17
• Complexity: 347

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C1CCC2=CC=CC=C2C1=O

Technology Process of Methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

There total 1 articles about Methyl oxo(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetate 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: 10.4%

Dimethyl oxalate (553-90-2) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → methyl 1,2,3,4-tetrahydro-1-oxo-2-naphthaleneglyoxalate (57763-56-1)

Guidance literature:

With base;

DOI:10.1021/jo00018a018

Reference yield: 65.0%

methyl 1,2,3,4-tetrahydro-1-oxo-2-naphthaleneglyoxalate (57763-56-1) → methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate (7442-52-6,125117-36-4)

Guidance literature:

With powdered glass;

DOI:10.1021/jo00018a030

upstream raw materials:

Dimethyl oxalate

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Refernces

• 1、 Emerson, David W.,Titus, Richard L.,Gonzalez, Rowena M.. "Evidence for Ketene Intermediates in the Decarbonylation of 2,4-Dioxo Acids and Esters and 2-Oxobutanedioic Acid Esters". . p. 5301 - 5307. Retrieved 2007/10/02.