Ethyl 2-cycloheptylideneacetate

Base Information

• Chemical Name: Ethyl 2-cycloheptylideneacetate
• CAS No.: 1903-23-7
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.263
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID00940578
• Nikkaji Number: J1.929.478A
• Mol file: 1903-23-7.mol

Synonyms:ethyl 2-cycloheptylideneacetate;1903-23-7;Ethyl cycloheptylideneacetate;ethyl2-cycloheptylideneacetate;SCHEMBL6093145;DTXSID00940578;MFCD02093941;AKOS006230188;Cycloheptylideneacetic acid ethyl ester;AS-30262;CS-0214799;FT-0626175;EN300-194491

Chemical Property of Ethyl 2-cycloheptylideneacetate

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Refractive Index: 1.4818
• Boiling Point: 235.9°Cat760mmHg
• Flash Point: 112.9°C
• PSA: 26.30000
• Density: 1.05g/cm³
• LogP: 2.83010
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-cycloheptylideneacetate 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1CCCCCC1

Technology Process of Ethyl 2-cycloheptylideneacetate

There total 1 articles about Ethyl 2-cycloheptylideneacetate 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: 12.0%

[2-(Naphthalen-1-ylcarbamoyloxy)-cyclohept-(Z)-ylidene]-acetic acid ethyl ester (95713-85-2) → ethyl cycloheptylideneacetate (1903-23-7) + 1-(carbethoxymethyl)cycloheptene (92599-53-6) + 1-amino-naphthalene (134-32-7)

Guidance literature:

With lithium dimethylcuprate; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; at -40 - 0 ℃; for 2h;

DOI:10.1016/S0040-4039(01)91022-6

Reference yield: 57.0%

Methyl p-tolyl sulfoxide (934-72-5) + ethyl cycloheptylideneacetate (1903-23-7) → 1-(p-tolylsulfinyl)-3-cycloheptylidene-2-propanone (862419-68-9)

Guidance literature:

Methyl p-tolyl sulfoxide; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

ethyl cycloheptylideneacetate; In tetrahydrofuran; at -78 ℃; for 24h;

DOI:10.1016/j.tet.2005.05.018

Reference yield: 52.0%

ethyl cycloheptylideneacetate (1903-23-7) + 3,4-dimethoxy-benzaldehyde (120-14-9) → (E)-ethyl 2-(cyclohept-1-en-1-yl)-3-(3,4-dimethoxyphenyl)acrylate

Guidance literature:

With titanium tetrachloride; triethylamine; In dichloromethane; at 0 - 20 ℃; diastereoselective reaction;

DOI:10.1002/adsc.201601025

upstream raw materials:

[2-(Naphthalen-1-ylcarbamoyloxy)-cyclohept-(Z)-ylidene]-acetic acid ethyl ester

Downstream raw materials:

ethyl cycloheptylacetate

α-(hydroxymethyl)methylenecycloheptane

1-(p-tolylsulfinyl)-3-cycloheptylidene-2-propanone

1-(p-tolylsulfanyl)-3-cycloheptylidenyl-2-propanone

Refernces