Methyl cyclopentylmandelate, (+)-

Base Information

Chemical Name:Methyl cyclopentylmandelate, (+)-
CAS No.:860644-54-8
Molecular Formula:C₁₄H₁₈O₃
Molecular Weight:234.295
Hs Code.:
UNII:M0O1VB730R
Wikidata:Q27283306

Synonyms:Methyl cyclopentylmandelate, (+)-;UNII-M0O1VB730R;M0O1VB730R;860644-54-8;SCHEMBL2062807;(+)-methyl cyclopentylmandelate;methyl (S)-2-cyclopentyl-2-hydroxy-2-phenylacetate;methyl (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate;Q27283306;BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, METHYL ESTER, (.ALPHA.S)-

Suppliers and Price of Methyl cyclopentylmandelate, (+)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Methyl cyclopentylmandelate, (+)-

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:265

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O
Isomeric SMILES:COC(=O)[C@](C1CCCC1)(C2=CC=CC=C2)O

Technology Process of Methyl cyclopentylmandelate, (+)-

There total 11 articles about Methyl cyclopentylmandelate, (+)- 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: 100.0%

: 64471-43-8
(S)-α-cyclopentyl-α-hydroxy-α-phenylacetic acid

: 74-88-4
methyl iodide

: 860644-54-8
(S)-methyl-α-cyclopentyl-α-hydroxyl-α-phenylacetate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield:

: 17199-29-0
(S)-Mandelic acid

: 860644-54-8
(S)-methyl-α-cyclopentyl-α-hydroxyl-α-phenylacetate

Guidance literature:: Multi-step reaction with 6 steps

1.1: trifluoromethanesulfonic acid / pentane / 6 h / Heating

2.1: lithium bis(trimethylsilyl) amide / tetrahydrofuran; hexane / 1 h / cooling

2.2: tetrahydrofuran; hexane / 3 h

3.1: thionyl chloride; pyridine / tetrahydrofuran / 3 h / 0 °C

4.1: hydrogen / Pd/C / methanol / 10 h / 760 Torr

5.1: KOH / methanol; H₂O / 3 h / Heating

6.1: diethyl ether / 0.5 h / 20 °C

With pyridine; potassium hydroxide; thionyl chloride; trifluorormethanesulfonic acid; hydrogen; lithium hexamethyldisilazane; palladium on activated charcoal; In tetrahydrofuran; methanol; diethyl ether; hexane; water; pentane;
DOI:10.1080/00397910600602453

Reference yield:

: 81036-97-7
(2S,5S)-2-tert-butyl-5-phenyl-1,3-dioxolan-4-one

: 860644-54-8
(S)-methyl-α-cyclopentyl-α-hydroxyl-α-phenylacetate

Guidance literature:: Multi-step reaction with 5 steps

1.1: lithium bis(trimethylsilyl) amide / tetrahydrofuran; hexane / 1 h / cooling

1.2: tetrahydrofuran; hexane / 3 h

2.1: thionyl chloride; pyridine / tetrahydrofuran / 3 h / 0 °C

3.1: hydrogen / Pd/C / methanol / 10 h / 760 Torr

4.1: KOH / methanol; H₂O / 3 h / Heating

5.1: diethyl ether / 0.5 h / 20 °C

With pyridine; potassium hydroxide; thionyl chloride; hydrogen; lithium hexamethyldisilazane; palladium on activated charcoal; In tetrahydrofuran; methanol; diethyl ether; hexane; water;
DOI:10.1080/00397910600602453