Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl ester

Base Information

• Chemical Name: Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl ester
• CAS No.: 135569-16-3
• Molecular Formula: C₁₈H₂₆N₂O₄
• Molecular Weight: 334.415
• DSSTox Substance ID: DTXSID10929056
• Nikkaji Number: J459.317K
• Wikidata: Q27164233
• ChEMBL ID: CHEMBL1192187
• Mol file: 135569-16-3.mol

Synonyms:4-nitrocaramiphen;para-nitrocaramiphen

Chemical Property of Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl ester

Chemical Property:

• Boiling Point: 454.5±35.0 °C(Predicted)
• PKA: 9.24±0.25(Predicted)
• PSA: 75.36000
• Density: 1.150±0.06 g/cm3(Predicted)
• LogP: 3.81480
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 334.18925731
• Heavy Atom Count: 24
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl ester

There total 4 articles about Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl 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:

1-(4-nitro-phenyl)-cyclopentanecarboxylic acid (52648-77-8) → Nitrocaramiphen (135569-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene / 4 h / Heating

2: benzene / 4 h / Heating

With thionyl chloride; In benzene;

DOI:10.1021/jm00114a005

Reference yield:

potassium 1-(p-nitrophenyl)cyclopentanecarboxylate (89490-69-7) + 2-(diethylamino)ethyl chloride (100-35-6) → Nitrocaramiphen (135569-16-3)

Guidance literature:

In ethanol; for 12h; Heating;

DOI:10.1021/jm00114a005

Reference yield:

1-(4-nitro-phenyl)-cyclopentanecarbonyl chloride (422280-34-0) + 2-(Diethylamino)ethanol (100-37-8) → Nitrocaramiphen (135569-16-3)

Guidance literature:

In benzene; for 4h; Heating;

DOI:10.1021/jm00114a005

upstream raw materials:

potassium 1-(p-nitrophenyl)cyclopentanecarboxylate

2-(diethylamino)ethyl chloride

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

2-(Diethylamino)ethanol

Refernces