Methyl tetrahydrofuran-3-carboxylate

Base Information

• Chemical Name: Methyl tetrahydrofuran-3-carboxylate
• CAS No.: 53662-85-4
• Molecular Formula: C6H10O3
• Molecular Weight: 130.14
• Hs Code.: 2932190090
• European Community (EC) Number: 827-686-1
• DSSTox Substance ID: DTXSID90443306
• Nikkaji Number: J1.247.213G
• Mol file: 53662-85-4.mol

Synonyms:Methyl tetrahydrofuran-3-carboxylate;53662-85-4;Methyl Oxolane-3-carboxylate;METHYL TETRAHYDRO-3-FUROATE;MFCD06203928;methyl tetrahydro-3-furancarboxylate;SCHEMBL1127208;DTXSID90443306;HUTNCRJHLZDGPO-UHFFFAOYSA-N;Methyltetrahydrofuran-3-carboxylate;methyl tetra-hydrofuran-3-carboxylate;AKOS010531010;CS-W004271;PB14439;PB21418;PB21424;rac-methyl tetrahydrofuran-3-carboxylate;AMY202100097;BS-13106;SY042132;FT-0762352;EN300-54910;Tetrahydrofuran-3-carboxylic acid methyl ester;tetrahydro-furan-3-carboxylic acid methyl ester;A870662;Z802555348

Chemical Property of Methyl tetrahydrofuran-3-carboxylate

Chemical Property:

• Boiling Point: 158.753 °C at 760 mmHg
• Flash Point: 55.161 °C
• PSA: 35.53000
• Density: 1.109 g/cm³
• LogP: 0.19590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

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

Methyltetrahydrofuran-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCOC1

Technology Process of Methyl tetrahydrofuran-3-carboxylate

There total 6 articles about Methyl tetrahydrofuran-3-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%

→ methyl tetrahydrofuran-3-carboxylate (53662-85-4,165611-33-6,191347-93-0)

Guidance literature:

Reference yield: 89.0%

methanol (67-56-1) + 3-tetrahydrofuroic acid (89364-31-8) → methyl tetrahydrofuran-3-carboxylate (53662-85-4,165611-33-6,191347-93-0)

Guidance literature:

With toluene-4-sulfonic acid; for 3h; Heating;

DOI:10.1021/jo9518967

Reference yield: 85.0%

potassium methanolate (865-33-8) + 3-tetrahydrofuranmethanol (124391-75-9,124506-31-6,15833-61-1) → methyl tetrahydrofuran-3-carboxylate (53662-85-4,165611-33-6,191347-93-0)

Guidance literature:

With tellurium; bismuth (III) nitrate pentahydrate; 5%-palladium/activated carbon; oxygen; In methanol; at 60 ℃; for 8h; under 760.051 Torr;

DOI:10.1021/ol402428e

upstream raw materials:

4,5-dihydro-furan-3-carboxylic acid methyl ester

methanol

3-tetrahydrofuroic acid

potassium methanolate

Downstream raw materials:

5-(tetrahydrofuran-3-yl)-1H-pyrazol-3-amine

3-oxo-3-(tetrahydro-furan-3-yl)-propionitrile

methyl 5-oxotetrahydro-3-furancarboxylate

Refernces

• 1、 -. "COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS". Paragraph 0076; 0077. . Retrieved 2018/08/03.
• 2、 -. "3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS". Page/Page column 172; 173. . Retrieved 2014/08/06.