Methyl cyclohexylphenylglycolate

Base Information

• Chemical Name: Methyl cyclohexylphenylglycolate
• CAS No.: 10399-13-0
• Molecular Formula: C15H20O3
• Molecular Weight: 248.322
• Hs Code.: 2918191350
• European Community (EC) Number: 233-862-3
• UNII: 3B92G18V2B
• DSSTox Substance ID: DTXSID60864261
• Nikkaji Number: J236.809I
• Wikidata: Q27256996
• Mol file: 10399-13-0.mol

Synonyms:MCHPG;methyl cyclohexylphenylglycolate

Chemical Property of Methyl cyclohexylphenylglycolate

Chemical Property:

• Appearance/Colour: Light yellow oil
• Vapor Pressure: 3.08E-06mmHg at 25°C
• Melting Point: 40 °C
• Refractive Index: 1.54
• Boiling Point: 373.4 °C at 760 mmHg
• PKA: 12.19±0.29(Predicted)
• Flash Point: 152.9 °C
• PSA: 46.53000
• Density: 1.13 g/cm³
• LogP: 2.62750
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl2-Cyclohexyl-2-hydroxyphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
• Uses: Methyl 2-Cyclohexyl-2-hydroxyphenylacetate is an impurity of Oxybutynin Methyl 2-Cyclohexyl-2-hydroxyphenylacetate is an impurity of Oxybutynin (O868525).

Technology Process of Methyl cyclohexylphenylglycolate

There total 16 articles about Methyl cyclohexylphenylglycolate 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: 69.1%

methyl 2-(2'-cyclohexen-1'-yl)-2-hydroxy-2-phenylacetate (424792-59-6) → methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (10399-13-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 10h; under 2625.26 Torr;

Reference yield: 58.0%

1-bromocyclohexane (108-85-0) + methyl 2-oxo-2-phenylacetate (15206-55-0) → methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (10399-13-0)

Guidance literature:

1-bromocyclohexane; With cyclohexyl chloride; iodine; magnesium; In tetrahydrofuran; at 25 - 75 ℃; for 2.5h;

methyl 2-oxo-2-phenylacetate; In tetrahydrofuran; at 6 - 14 ℃; for 2h;

With hydrogenchloride; In water; toluene; at 5 - 38 ℃;

Reference yield: 49.0%

methyl 2-oxo-2-phenylacetate (15206-55-0) + cyclohexylmagnesium bromide (931-50-0) → methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (10399-13-0)

Guidance literature:

upstream raw materials:

methyl benzilate

1-bromocyclohexane

methyl 2-oxo-2-phenylacetate

methyl O-acetyl-α-cyclohexyl-α-phenylglycolate

Downstream raw materials:

Oxybutynin chloride

oxybutynin

Cyclohexyl phenyl ketone

tropinyl cyclohexylphenylglycolate

Refernces

• 1、 -. "SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES". Page/Page column 52-53. . Retrieved 2009/10/06.
• 2、 -. "Production method of 2-cyclohexyl-2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof". Page 15. . Retrieved 2010/01/31.