Methyl tetrahydro-5-methyl-4-oxo-3-furoate

Base Information

• Chemical Name: Methyl tetrahydro-5-methyl-4-oxo-3-furoate
• CAS No.: 3210-57-9
• Molecular Formula: C7H10 O4
• Molecular Weight: 158.154
• Hs Code.: 2932190090
• European Community (EC) Number: 221-721-9
• DSSTox Substance ID: DTXSID20953983
• Nikkaji Number: J262.315C
• Mol file: 3210-57-9.mol

Synonyms:Methyl tetrahydro-5-methyl-4-oxo-3-furoate;3210-57-9;EINECS 221-721-9;methyl 5-methyl-4-oxooxolane-3-carboxylate;SCHEMBL9127247;DTXSID20953983;AKOS040806155;1,4-Anhydro-2,5-dideoxy-2-(methoxycarbonyl)pent-3-ulose;Tetrahydro-5-methyl-4-oxo-3-furancarboxylic acid methyl ester

Chemical Property of Methyl tetrahydro-5-methyl-4-oxo-3-furoate

Chemical Property:

• Vapor Pressure: 0.0804mmHg at 25°C
• Boiling Point: 226.8°Cat760mmHg
• Flash Point: 93.3°C
• PSA: 52.60000
• Density: 1.181g/cm³
• LogP: -0.23660
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)C(CO1)C(=O)OC

Technology Process of Methyl tetrahydro-5-methyl-4-oxo-3-furoate

There total 2 articles about Methyl tetrahydro-5-methyl-4-oxo-3-furoate 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: 64.0%

(S)-Methyl lactate (27871-49-4,2155-30-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 5-methyl-4-oxotetrahydrofuran-3-carboxylate (3210-57-9)

Guidance literature:

(S)-Methyl lactate; With sodium hydride; In diethyl ether; ethanol; at -38 - 0 ℃; for 0.333333h;

acrylic acid methyl ester; In dimethyl sulfoxide; at 20 ℃; for 20h;

DOI:10.1002/chem.201303897

Reference yield:

→ methyl 5-methyl-4-oxotetrahydrofuran-3-carboxylate (3210-57-9)

Guidance literature:

(+-)-2-<2-Methoxycarbonyl-ethoxy>-propionsaeure-methylester, NaOMe, Toluol;

Reference yield:

methyl 5-methyl-4-oxotetrahydrofuran-3-carboxylate (3210-57-9) + ethyl acetate n-hexane + 4-Fluorobenzyl bromide (459-46-1) → 4-carbomethoxy-4-(4-fluorobenzyl)-2-methyl-tetrahydrofuran-3-one

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

(S)-Methyl lactate

acrylic acid methyl ester

Downstream raw materials:

2-methyl-3-hydroxy-4-carbomethoxytetrahydrofurane

Refernces