Ethyl tetrahydropyran-4-carboxylate

Base Information

• Chemical Name: Ethyl tetrahydropyran-4-carboxylate
• CAS No.: 96835-17-5
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID80541587
• Wikidata: Q72477321
• Mol file: 96835-17-5.mol

Synonyms:Ethyl tetrahydropyran-4-carboxylate;96835-17-5;ETHYL TETRAHYDRO-2H-PYRAN-4-CARBOXYLATE;Ethyl oxane-4-carboxylate;2H-Pyran-4-carboxylic acid, tetrahydro-, ethyl ester;MFCD08702763;4-oxanecarboxylic acid ethyl ester;tetrahydropyran-4-carboxylic acid ethyl ester;SCHEMBL72855;DTXSID80541587;BCXINTIRMSZYKA-UHFFFAOYSA-N;BCP22275;AM1230;AKOS008105017;DS-14921;SY004711;CS-0043917;EN300-80401;ETHYLTETRAHYDRO-2H-PYRAN-4-CARBOXYLATE;2H-Pyran-4-carboxylicacid,tetrahydro-,ethyl ester;A845647;Z292598032;2-ethyl-tetrahydro-2H-pyran-4-carboxylate;Ethyl Tetrahydropyran-4-carboxylate

Chemical Property of Ethyl tetrahydropyran-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.202mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 209.5 °C at 760 mmHg
• Flash Point: 79.1 °C
• PSA: 35.53000
• Density: 1.043 g/cm³
• LogP: 0.97610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

98%, ^*data from raw suppliers

EthylTetrahydropyran-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCOCC1

Technology Process of Ethyl tetrahydropyran-4-carboxylate

There total 4 articles about Ethyl tetrahydropyran-4-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: 92.0%

tetrahydro-pyran-4,4-dicarboxylic acid diethyl ester (5382-77-4) → ethyl tetrahydro-2H-pyran-4-carboxylate (96835-17-5)

Guidance literature:

With lithium iodide; In N,N-dimethyl-formamide;

Reference yield:

tetrahydro-2H-pyran-4-carboxylic acid (5337-03-1) + ethanol (64-17-5) → ethyl tetrahydro-2H-pyran-4-carboxylate (96835-17-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

tetrahydro-2H-pyran-4-carboxylic acid (5337-03-1) → ethyl tetrahydro-2H-pyran-4-carboxylate (96835-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

With thionyl chloride;

DOI:10.1039/jr9300002525

upstream raw materials:

tetrahydro-2H-pyran-4-carboxylic acid

ethanol

tetrahydro-2H-pyran-4-carbonylchloride

tetrahydro-pyran-4,4-dicarboxylic acid diethyl ester

Downstream raw materials:

(tetrahydro-2H-pyran-4-yl)methanol

lithium diisopropyl amide

C₂₀H₂₄FN₅O₂

C₂₃H₂₃BrFN₅O₂

Refernces

• 1、 -. "Processes for preparing 3-Arylsulfur hydroxamic acids". Scheme D. . Retrieved 2008/06/13.
• 2、 -. "Matrix metalloprotease inhibitors". . . Retrieved 2008/06/13.