P-Nitrophenyl cyclohexanecarboxylate

Base Information

• Chemical Name: P-Nitrophenyl cyclohexanecarboxylate
• CAS No.: 13551-17-2
• Molecular Formula: C13H15NO4
• Molecular Weight: 249.266
• DSSTox Substance ID: DTXSID50159431
• Nikkaji Number: J1.463.167D
• Wikidata: Q83027761
• Mol file: 13551-17-2.mol

Synonyms:P-NITROPHENYL CYCLOHEXANECARBOXYLATE;13551-17-2;Cyclohexanecarboxylic acid, 4-nitrophenyl ester;4-nitrophenyl cyclohexanoate;SCHEMBL11602621;DTXSID50159431;UCQFTYKBLBJWIO-UHFFFAOYSA-N;Cyclohexanecarboxylic acid 4-nitrophenyl ester;Cyclohexanecarboxylic acid 4-nitro-phenyl ester

Chemical Property of P-Nitrophenyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 4.02E-06mmHg at 25°C
• Boiling Point: 384.7°Cat760mmHg
• Flash Point: 166.6°C
• Density: 1.237g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.10010796
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of P-Nitrophenyl cyclohexanecarboxylate

There total 14 articles about P-Nitrophenyl cyclohexanecarboxylate 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: 90.4%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Cyclohexanecarboxylic acid (98-89-5) → cyclohexanecarboxylic acid 4-nitrophenyl ester (13551-17-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dimethyl sulfoxide; at 20 ℃; for 8h;

DOI:10.1016/j.molcatb.2011.07.010

Reference yield: 42.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + cyclohexanecarbaldehyde (2043-61-0) → cyclohexanecarboxylic acid 4-nitrophenyl ester (13551-17-2)

Guidance literature:

With bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride; palladium diacetate; sodium carbonate; In 5,5-dimethyl-1,3-cyclohexadiene; at 100 ℃; for 48h; Sealed tube;

DOI:10.1016/j.tetlet.2011.03.017

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexanecarboxylic acid 4-nitrophenyl ester (13551-17-2)

Guidance literature:

DOI:10.1246/bcsj.52.2996

upstream raw materials:

4-nitro-phenol

cyclohexanylcarbonyl chloride

Cyclohexanecarboxylic acid

cyclohexanecarbaldehyde

Downstream raw materials:

4-nitro-phenol

p-nitrophenyl butyrate

p-nitrophenyl hexanoate

p-nitrophenyl hydrocinnamate