2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester

Base Information

Chemical Name:2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester
CAS No.:300355-24-2
Molecular Formula:C₁₅H₁₈ClNO₄
Molecular Weight:311.765
Hs Code.:
DSSTox Substance ID:DTXSID701188561

Synonyms:SCHEMBL2646355;ACQAPFAGFLQHOI-UHFFFAOYSA-N;DTXSID701188561;2-(4-chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester;300355-24-2;Methyl 4-chloro-alpha-(cyclopentylmethyl)-3-nitrobenzeneacetate;2-(4-chloro-3-nitro-phenyl)-3-cyclopentyl-propionic acid methyl ester

Suppliers and Price of 2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester

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

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Chemical Property of 2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:311.0924357
Heavy Atom Count:21
Complexity:378

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(CC1CCCC1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester

There total 3 articles about 2-(4-Chloro-3-nitrophenyl)-3-cyclopentyl-propionic acid methyl ester 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: 32.0%

: 300355-23-1
4-chloro-3-nitrophenylacetic acid methyl ester

: 27935-87-1
cyclopentylmethyl Iodide

: ammonium chloride

: 300355-24-2
2-(4-chloro-3-nitrophenyl)-3-cyclopentylpropionic acid methyl ester

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran;

Reference yield: 32.0%

: 300355-23-1
4-chloro-3-nitrophenylacetic acid methyl ester

: 27935-87-1
cyclopentylmethyl Iodide

: 300355-24-2
2-(4-chloro-3-nitrophenyl)-3-cyclopentylpropionic acid methyl ester

Guidance literature:: 4-chloro-3-nitrophenylacetic acid methyl ester; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1.15h; Inert atmosphere;

cyclopentylmethyl Iodide; In tetrahydrofuran; hexane; at -78 - 25 ℃; for 48h; Inert atmosphere;
DOI:10.1021/jm3008689

Reference yield:

: 98553-93-6
4-chloro-3-nitrophenylacetamide

: 300355-24-2
2-(4-chloro-3-nitrophenyl)-3-cyclopentylpropionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: Amberlyst? 15 ion exchange resin / 64 h / Inert atmosphere; Reflux

2.1: n-butyllithium; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; diisopropylamine / hexane; tetrahydrofuran / 1.15 h / -78 °C / Inert atmosphere

2.2: 48 h / -78 - 25 °C / Inert atmosphere

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane;
DOI:10.1021/jm3008689