(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID ETHYL ESTER

Base Information

• Chemical Name: (1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID ETHYL ESTER
• CAS No.: 62141-26-8
• Molecular Formula: C12H20O4
• Molecular Weight: 228.288
• DSSTox Substance ID: DTXSID60577026
• Nikkaji Number: J2.591.627A
• Wikidata: Q82466942
• Mol file: 62141-26-8.mol

Synonyms:(1,4-Dioxa-spiro[4,5]dec-8-yl)-acetic acid ethyl ester

Chemical Property of (1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 308.4±17.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 1.87290
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCC2(CC1)OCCO2

Technology Process of (1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID ETHYL ESTER

There total 5 articles about (1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID ETHYL ESTER 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 1,4-dioxaspiro[4,5]dec-8-ylideneacetate (51656-91-8) → ethyl 1,4-dioxaspiro[4.5]dec-8-ylacetate (62141-26-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 0.333333h; under 108601 Torr; Ambient temperature;

DOI:10.1021/ja00021a031

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → ethyl 1,4-dioxaspiro[4.5]dec-8-ylacetate (62141-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / NaH / 1,2-dimethoxy-ethane / 11.5 h / Ambient temperature

2: 95 percent / hydrogen / 10 percent palladium-charcoal / ethyl acetate

With hydrogen; sodium hydride; palladium on activated charcoal; In 1,2-dimethoxyethane; ethyl acetate;

DOI:10.1016/S0040-4020(01)80820-6

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → ethyl 1,4-dioxaspiro[4.5]dec-8-ylacetate (62141-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NaH / tetrahydrofuran / 6 h / 20 °C

2: 100 percent / H₂ / Pd/C / methanol / 4 h

With hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; methanol; 1: Wittig reaction;

DOI:10.1016/j.bmc.2005.09.002

upstream raw materials:

ethyl 1,4-dioxaspiro[4,5]dec-8-ylideneacetate

cyclohexanedione monoethylene ketal

diethoxyphosphoryl-acetic acid ethyl ester

Downstream raw materials:

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol

ethyl 4-oxocyclohexaneacetate

2-(1,4-dioxaspiro[4,5]dec-8-yl)-1-(4-phenyl-1-piperazinyl)ethanone

(4,4-bis-hydroperoxy-cyclohexyl)-acetic acid ethyl ester