Cyclopentyl 4-nitrobenzoate

Base Information

• Chemical Name: Cyclopentyl 4-nitrobenzoate
• CAS No.: 61081-80-9
• Molecular Formula: C12H13 N O4
• Molecular Weight: 235.2359
• NSC Number: 87154
• DSSTox Substance ID: DTXSID00976574
• Wikidata: Q82961497

Synonyms:Cyclopentyl 4-nitrobenzoate;61081-80-9;Cyclopentyl4-nitrobenzoate;cyclopentyl-4-nitro-benzoate;Cyclopentyl 4-nitrobenzoate #;DTXSID00976574;WPKVBNFXUGNXGX-UHFFFAOYSA-N;NSC87154;MFCD04061701;NSC-87154;STK734568;AKOS003335459;4-Nitrobenzoic acid, cyclopentyl ester;CCG-324091;LS-07609

Chemical Property of Cyclopentyl 4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 7.96E-06mmHg at 25°C
• Boiling Point: 375.1°Cat760mmHg
• Flash Point: 168.6°C
• Density: 1.26g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopentyl 4-nitrobenzoate

There total 3 articles about Cyclopentyl 4-nitrobenzoate 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: 82.0%

Cyclopentyl bromide (137-43-9) + 1-bromomethyl-4-nitro-benzene (100-11-8) → p-nitrobenzoate de cyclopentyle (61081-80-9)

Guidance literature:

With caesium carbonate; 1,4-dimethyl-1,2,4-triazolium iodide; In N,N-dimethyl acetamide; at 40 ℃; for 36h; Schlenk technique;

DOI:10.1002/anie.202011039

Reference yield: 29.0%

carbon monoxide (201230-82-2) + Cyclopentanol (96-41-3) + 4-nitrobenzenediazonium tetrafluoroborate (456-27-9) → p-nitrobenzoate de cyclopentyle (61081-80-9)

Guidance literature:

With sodium formate; In acetonitrile;

DOI:10.1039/c7ob01572k

Reference yield:

Cyclopentanol (96-41-3) → p-nitrobenzoate de cyclopentyle (61081-80-9)

Guidance literature:

DOI:10.1021/ja01239a014

upstream raw materials:

Cyclopentanol

carbon monoxide

4-nitrobenzenediazonium tetrafluoroborate

Cyclopentyl bromide

Downstream raw materials:

4-amino-benzoic acid cyclopentyl ester

N-butyl-4-nitrobenzamide

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