Ethyl cyclohexyl-3-thienylacetate

Base Information

• Chemical Name: Ethyl cyclohexyl-3-thienylacetate
• CAS No.: 51536-25-5
• Molecular Formula: C14H20 O2 S
• Molecular Weight: 252.378
• Hs Code.: 2934999090
• European Community (EC) Number: 257-258-4
• DSSTox Substance ID: DTXSID70965859
• Nikkaji Number: J261.752H
• Mol file: 51536-25-5.mol

Synonyms:Ethyl cyclohexyl-3-thienylacetate;51536-25-5;EINECS 257-258-4;SCHEMBL11366829;DTXSID70965859;Ethyl cyclohexyl(thiophen-3-yl)acetate;alpha-Cyclohexyl-3-thiopheneacetic acid ethyl ester

Chemical Property of Ethyl cyclohexyl-3-thienylacetate

Chemical Property:

• Vapor Pressure: 7.07E-05mmHg at 25°C
• Boiling Point: 343.4°Cat760mmHg
• Flash Point: 161.5°C
• PSA: 54.54000
• Density: 1.106g/cm³
• LogP: 3.97510
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 252.11840105
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1CCCCC1)C2=CSC=C2

Technology Process of Ethyl cyclohexyl-3-thienylacetate

There total 2 articles about Ethyl cyclohexyl-3-thienylacetate 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: 80.0%

1-bromocyclohexane (108-85-0) + ethyl-3 thiophene acetate (37784-63-7) → ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate (51536-25-5)

Guidance literature:

With nitrogen; In N-methyl-acetamide; water;

Reference yield:

thiophen-3-yl-acetic acid (6964-21-2) → ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate (51536-25-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 98 percent / HCl / 0.17 h

2.1: LDA / dimethylformamide / 0.25 h

2.2: 76 percent / dimethylformamide / 1.5 h / 80 °C

With hydrogenchloride; lithium diisopropyl amide; In N,N-dimethyl-formamide;

DOI:10.1055/s-2007-977414

Reference yield: 99.0%

ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate (51536-25-5) → (+/-)-2-cyclohexyl-2-(3-thienyl)ethanoic acid (16199-74-9,51536-26-6,51536-27-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.1055/s-2007-977414

upstream raw materials:

1-bromocyclohexane

ethyl-3 thiophene acetate

thiophen-3-yl-acetic acid

Downstream raw materials:

(+/-)-2-cyclohexyl-2-(3-thienyl)ethanoic acid

cetiedil

Refernces

• 1、 -. "Process for preparing 3-thienyl-acetate derivatives". . . Retrieved 2008/06/13.