Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate

Base Information

• Chemical Name: Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate
• CAS No.: 300355-19-5
• Molecular Formula: C16H22O4S
• Molecular Weight: 310.414
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60598216
• Mol file: 300355-19-5.mol

Synonyms:300355-19-5;METHYL 3-CYCLOPENTYL-2-(4-METHYLSULFONYLPHENYL)PROPIONATE;methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoate;3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER;Methyl-3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate;SCHEMBL1930773;DTXSID60598216;JZGAQEVYHMXQQF-UHFFFAOYSA-N;AKOS005215868;NCGC00386499-01;PD016850;A935578;Methyl 3-cyclopentyl-2-[4-(methanesulfonyl)phenyl]propanoate;3-cyclopentyl-2-(4-methanesulfonylphenyl)propionic acid methyl ester;3cyclopentyl-2-(4methanesulfonyl-phenyl)-propionic acid methyl ester;3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid methyl ester;3-CYCLOPENTYL-2-(4-METHANESULFONYLPHENYL)propanoic acid METHYL ESTER

Chemical Property of Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate

Chemical Property:

• PSA: 68.82000
• LogP: 4.00780
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 310.12388035
• Heavy Atom Count: 21
• Complexity: 437

Purity/Quality:

METHYL 3-CYCLOPENTYL-2-(4-METHYLSULFONYLPHENYL)PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1CCCC1)C2=CC=C(C=C2)S(=O)(=O)C

Technology Process of Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate

There total 2 articles about Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate 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: 68.0%

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (7226-23-5) + (4-methanesulfonyl-phenyl)-acetic acid methyl ester (300355-18-4) + cyclopentylmethyl Iodide (27935-87-1) → 3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid methyl ester (300355-19-5)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran;

Reference yield: 65.0%

(4-methanesulfonyl-phenyl)-acetic acid methyl ester (300355-18-4) + cyclopentylmethyl Iodide (27935-87-1) → 3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid methyl ester (300355-19-5)

Guidance literature:

(4-methanesulfonyl-phenyl)-acetic acid methyl ester; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

cyclopentylmethyl Iodide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

Reference yield: 90.0%

3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid methyl ester (300355-19-5) → 3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid (300354-95-4)

Guidance literature:

With sodium hydroxide; In methanol;

upstream raw materials:

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

(4-methanesulfonyl-phenyl)-acetic acid methyl ester

cyclopentylmethyl Iodide

Downstream raw materials:

3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid