Ethyl cycloheptylacetate

Base Information

• Chemical Name: Ethyl cycloheptylacetate
• CAS No.: 80246-70-4
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID50558889
• Wikidata: Q82441354
• Mol file: 80246-70-4.mol

Synonyms:Ethyl 2-cycloheptylacetate;Ethyl cycloheptylacetate;80246-70-4;CYCLOHEPTYLACETIC ACID ETHYL ESTER;Ethyl2-cycloheptylacetate;Cycloheptaneacetic acid ethyl ester;cycloheptylaceticacidethylester;SCHEMBL2779505;DTXSID50558889;MFCD08437072;AKOS015840844;CS-0455945;EN300-194493;F78464

Chemical Property of Ethyl cycloheptylacetate

Chemical Property:

• Vapor Pressure: 0.0584mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 80-85°C/2mm
• Flash Point: 80-85°C/2mm
• PSA: 26.30000
• Density: 0.929g/cm³
• LogP: 2.91000
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

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

Ethyl2-Cycloheptylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCCCCC1

Technology Process of Ethyl cycloheptylacetate

There total 5 articles about Ethyl cycloheptylacetate 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: 83.7%

ethyl cycloheptylideneacetate (1903-23-7) → ethyl cycloheptylacetate (80246-70-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1248/cpb.40.2391

Reference yield: 4.0%

(E)-9-Methanesulfonyloxy-non-2-enoic acid ethyl ester (124668-83-3) → ethyl cycloheptylacetate (80246-70-4)

Guidance literature:

With tetrabutylammonium perchlorate; In N,N-dimethyl-formamide; electrolysis, platinum wire gauze anode, mercury pool cathode;

DOI:10.1016/S0040-4039(00)99641-2

Reference yield:

cycloheptanone (502-42-1) → ethyl cycloheptylacetate (80246-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 70.1 percent / NaH / benzene

2: 83.7 percent / H₂ / 5percent Pd/C / ethanol / 760 Torr

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

DOI:10.1248/cpb.40.2391

upstream raw materials:

ethyl cycloheptylideneacetate

(E)-9-Methanesulfonyloxy-non-2-enoic acid ethyl ester

cycloheptanone

diazoacetic acid ethyl ester

Downstream raw materials:

1-bromo-2-cycloheptylethane

5-[2-(4-Methyl-cyclohexyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

7-Hydroxy-2-[2-(4-methyl-cyclohexyl)-ethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-Amino-2-[2-(4-methyl-cyclohexyl)-ethyl]-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Refernces

• 1、 -. "1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists". Page/Page column 32. . Retrieved 2010/10/03.
• 2、 Yokohama,Miwa,Aibara,Fujiwara,Matsumoto,Nakayama,Iwamoto,Mori,Moroi,Tsukada,Isoda. "Synthesis and antiallergy activity of [1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one derivatives. II. 6-Alkyl- and 6-cycloalkylalkyl derivatives". . p. 2391 - 2398. Retrieved 2007/10/02.