1-(4-Nitrophenyl)cyclopentanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Nitrophenyl)cyclopentanecarboxylic acid
• CAS No.: 52648-77-8
• Molecular Formula: C12H13NO4
• Molecular Weight: 235.24
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30386107
• Nikkaji Number: J1.818.465F
• Wikidata: Q82179293
• Mol file: 52648-77-8.mol

Synonyms:52648-77-8;1-(4-nitrophenyl)cyclopentanecarboxylic acid;1-(4-nitrophenyl)cyclopentane-1-carboxylic Acid;1-(4-NITROPHENYL)CYCLOPENTANE-1-CARBOXYLICACID;1-(4-nitrophenyl)cyclopentanoic acid;Cambridge id 5564995;Oprea1_275257;SCHEMBL3900070;DTXSID30386107;QDCPXRWNBXWBPZ-UHFFFAOYSA-N;CCA64877;MFCD01012885;STK179590;AKOS000109347;SY093001;BB 0245005;CS-0287876;1-(4-nitro-phenyl)-cyclopentanecarboxylic acid;EN300-336192;F52845;1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid;A914401;SR-01000213546;SR-01000213546-1

Chemical Property of 1-(4-Nitrophenyl)cyclopentanecarboxylic acid

Chemical Property:

• PSA: 83.12000
• LogP: 3.01440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

1-(4-NITROPHENYL)CYCLOPENTANE-1-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 1-(4-Nitrophenyl)cyclopentanecarboxylic acid

There total 6 articles about 1-(4-Nitrophenyl)cyclopentanecarboxylic acid 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: 87.0%

1-phenyl-1-cyclopentanecarboxylic acid (77-55-4) → 1-(4-nitro-phenyl)-cyclopentanecarboxylic acid (52648-77-8)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 3h;

DOI:10.1002/(SICI)1099-1344(199605)38:5<471::AID-JLCR854>3.0.CO;2-Q

Reference yield:

1-(4-nitrophenyl)cyclopentane-1-carbonitrile (91392-33-5) → 1-(4-nitro-phenyl)-cyclopentanecarboxylic acid (52648-77-8)

Guidance literature:

With sulfuric acid; at 100 ℃; for 2h;

Reference yield:

methyl (4-nitrophenyl)acetate (2945-08-6) → 1-(4-nitro-phenyl)-cyclopentanecarboxylic acid (52648-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hexamethyldisilazane / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere

2: sodium hydroxide / methanol / 48 h / Reflux

With sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; methanol;

DOI:10.1021/acs.orglett.2c00161

upstream raw materials:

1-phenyl-1-cyclopentanecarboxylic acid

1-(4-nitrophenyl)cyclopentane-1-carbonitrile

4-nitrobenzeneacetic acid

methyl (4-nitrophenyl)acetate

Downstream raw materials:

1-(4-nitro-phenyl)-cyclopentanecarbonyl chloride

1-(p-aminophenyl)cyclopentanecarboxylic acid

C₄₆H₅₉NO₁₁

C₄₆H₅₉NO₁₁

Refernces

• 1、 -. "INHIBITORS OF C-FMS KINASE". Page/Page column 33. . Retrieved 2008/06/13.
• 2、 Wolf, Richard A.,Trocino, Richard J.,Rozich, William R.,Sabeta, Isidore C.,Ordway Jr., Richard J.. "Thermal Decomposition of". . p. 3814 - 3820. Retrieved 2007/10/03.