Ethyl tetrahydropyran-4-ylacetate

Base Information

• Chemical Name: Ethyl tetrahydropyran-4-ylacetate
• CAS No.: 103260-44-2
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Hs Code.: 2932990090
• European Community (EC) Number: 694-918-4
• DSSTox Substance ID: DTXSID70908302
• Wikidata: Q72477319
• Mol file: 103260-44-2.mol

Synonyms:103260-44-2;Ethyl tetrahydropyran-4-yl-acetate;Ethyl tetrahydropyran-4-ylacetate;ETHYL 2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETATE;ethyl 2-(oxan-4-yl)acetate;ETHYL 2-(4-TETRAHYDROPYRANYL)ACETATE;2H-PYRAN-4-ACETIC ACID, TETRAHYDRO-, ETHYL ESTER;MFCD03788560;(TETRAHYDRO-PYRAN-4-YL)-ACETIC ACID ETHYL ESTER;(Tetrahydropyran-4-yl)acetic acid ethyl ester;Ethyl 2-(tetrahydro-2H-pyran-4-yl)acetate;Ethyl tetrahydropyran-4-acetate;1260-44-2;ETHYL TETRAHYDROPYRANYL-4-ACETATE;ETHYL TETRAHYDRO-2H-PYRAN-4-YLACETATE;Ethyl (oxan-4-yl)acetate;Ethyl 2-(4-oxanyl)acetate;2H-Pyran-4-acetic acid,tetrahydro-, ethyl ester;SCHEMBL534088;ethyl 4-tetrahydropyranylacetate;DTXSID70908302;JLMMMEDWRUVCEW-UHFFFAOYSA-N;AMY38620;CS-D1493;AKOS006228228;DS-1567;ETHYL TETRAHYDROPYRAN-4-ACETATE;PB18627;SB20338;SY016234;TS-00161;FT-0695002;J-521284

Chemical Property of Ethyl tetrahydropyran-4-ylacetate

Chemical Property:

• Appearance/Colour: colorless liquid.
• Vapor Pressure: 0.0739mmHg at 25°C
• Refractive Index: 1.4572 (13.4℃)
• Boiling Point: 228.3 °C at 760 mmHg
• Flash Point: 96.7 °C
• PSA: 35.53000
• Density: 1.003 g/cm³
• LogP: 1.36620
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

Ethyltetrahydropyran-4-yl-acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCOCC1

Technology Process of Ethyl tetrahydropyran-4-ylacetate

There total 5 articles about Ethyl tetrahydropyran-4-ylacetate 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%

ethyl tetrahydro-4H-pyran-4-ylideneacetate (130312-00-4) → ethyl tetrahydropyran-4-acetate (103260-44-2)

Guidance literature:

With ammonium formate; palladium; at 80 ℃;

DOI:10.1021/jm040086x

Reference yield: 91.0%

→ ethyl tetrahydropyran-4-acetate (103260-44-2)

Guidance literature:

Reference yield:

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) → ethyl tetrahydropyran-4-acetate (103260-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / benzene / 0.5 h / 20 °C

1.2: 92 percent / benzene / 1 h / 60 °C

2.1: 98.5 percent / hydrogen / Pd/C / ethanol / 2585.74 Torr

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; benzene;

DOI:10.1021/jo061977a

upstream raw materials:

ethyl tetrahydro-4H-pyran-4-ylideneacetate

Tetrahydro-4H-pyran-4-one

Downstream raw materials:

methyl 2-(tetrahydro-2H-pyran-4-yl)acetate

2-(tetrahydro-2H-pyran-4-yl)acetic acid

Quinuclidine

benzyl 2-oxo-2-(tetrahydro-2H-pyran-4-yl)acetate

Refernces

• 1、 -. "Dihydropyrrolopyridine inhibitors of ROR-gamma". Page/Page column 31; 32. . Retrieved 2016/11/21.
• 2、 -. "DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA". Paragraph 00105. . Retrieved 2016/05/24.