Methyl 2-cyclohexyl-2-thiophen-3-ylacetate

Base Information

• Chemical Name: Methyl 2-cyclohexyl-2-thiophen-3-ylacetate
• CAS No.: 55504-38-6
• Molecular Formula: C13H18 O2 S
• Molecular Weight: 238.351
• Nikkaji Number: J267.013E
• Mol file: 55504-38-6.mol

Synonyms:SCHEMBL11368109

Chemical Property of Methyl 2-cyclohexyl-2-thiophen-3-ylacetate

Chemical Property:

• Boiling Point: 324.8oC at 760 mmHg
• Flash Point: 150.2oC
• PSA: 54.54000
• Density: 1.127g/cm3
• LogP: 3.58500
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 238.10275099
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-cyclohexyl-2-thiophen-3-ylacetate

There total 1 articles about Methyl 2-cyclohexyl-2-thiophen-3-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: 83.0%

1-bromocyclohexane (108-85-0) + thiophen-3-yl-acetic acid methyl ester (58414-52-1) → Cyclohexyl-thiophen-3-yl-acetic acid methyl ester (55504-38-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 10h; Ambient temperature;

Reference yield: 70.0%

Cyclohexyl-thiophen-3-yl-acetic acid methyl ester (55504-38-6) → (+/-)-2-cyclohexyl-2-(3-thienyl)ethanoic acid (16199-74-9,51536-26-6,51536-27-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 6h; Heating;

Reference yield:

Cyclohexyl-thiophen-3-yl-acetic acid methyl ester (55504-38-6) → 2-Cyclohexyl-2-thiophen-3-yl-acetamide (73812-48-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / potassium hydroxide / ethanol / 6 h / Heating

2: thionyl chloride / benzene / Heating

3: ammonia / benzene / 2 h / Ambient temperature

With potassium hydroxide; thionyl chloride; ammonia; In ethanol; benzene;

upstream raw materials:

1-bromocyclohexane

thiophen-3-yl-acetic acid methyl ester

Downstream raw materials:

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

Cyclohexyl-thiophen-3-yl-acetyl chloride

2-Cyclohexyl-2-thiophen-3-yl-acetamide

Refernces