1-(4-Nitrophenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Nitrophenyl)cyclopropanecarboxylic acid
• CAS No.: 23348-99-4
• Molecular Formula: C10H9NO4
• Molecular Weight: 207.186
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70601780
• Wikidata: Q82498599
• Mol file: 23348-99-4.mol

Synonyms:1-(4-Nitrophenyl)cyclopropanecarboxylic acid;23348-99-4;1-(4-NITROPHENYL)CYCLOPROPANE-1-CARBOXYLIC ACID;Cyclopropanecarboxylic acid, 1-(4-nitrophenyl)-;1-(4-NITRO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID;MFCD07374438;SCHEMBL1769201;DTXSID70601780;GWOWMWDHYGMVSZ-UHFFFAOYSA-N;AMY21530;AC5687;AKOS000264733;AB39464;DS-12363;SY033640;1-(4-Nitrophenyl)cyclopropanecarboxylicacid;EN300-102232;A878275;Z1353209215

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

Chemical Property:

• Vapor Pressure: 3.02E-07mmHg at 25°C
• Melting Point: 190.5-193 °C
• Boiling Point: 403.8oC at 760 mmHg
• PKA: 3.78±0.20(Predicted)
• Flash Point: 179.6oC
• PSA: 83.12000
• Density: 1.48g/cm3
• LogP: 2.23420
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.05315777
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Nitrophenyl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

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

There total 7 articles about 1-(4-Nitrophenyl)cyclopropanecarboxylic 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: 82.0%

1-(4-nitrophenyl)-1-cyclopropylcarbonitrile (408328-42-7) → 1-(4-nitrophenyl)cyclopropane-1-carboxylic acid (23348-99-4)

Guidance literature:

With sulfuric acid; water; Reflux;

DOI:10.1002/cmdc.201900730

Reference yield:

ethyl 1-(4-nitrophenyl)cyclopropanecarboxylate (1308814-98-3) → 1-(4-nitrophenyl)cyclopropane-1-carboxylic acid (23348-99-4)

Guidance literature:

With sulfuric acid;

Reference yield:

1-phenyl-1-cyclopropane carboxylic acid (6120-95-2) → 1-(2-nitro-phenyl)-cyclopropanecarboxylic acid (422280-53-3) + 1-(4-nitrophenyl)cyclopropane-1-carboxylic acid (23348-99-4)

Guidance literature:

With nitric acid; at -30 - 0 ℃;

upstream raw materials:

ethyl 1-(4-nitrophenyl)cyclopropanecarboxylate

1-phenyl-1-cyclopropane carboxylic acid

1-(4-nitrophenyl)-1-cyclopropylcarbonitrile

ETHYL 4-NITROPHENYLACETATE

Downstream raw materials:

1-(4-nitrophenyl)-hydroxymethylcyclopropane

methyl 1-(4-nitrophenyl)cyclopropanecarboxylate

tert-butyl (1-(4-nitrophenyl)cyclopropyl)carbamate

4-nitrophenylcyclopropane