4-Chloro-n-cyclopropyl-3-nitrobenzamide

Base Information

• Chemical Name: 4-Chloro-n-cyclopropyl-3-nitrobenzamide
• CAS No.: 90797-58-3
• Molecular Formula: C₁₀H₉ClN₂O₃
• Molecular Weight: 240.646
• Hs Code.: 2924299090
• European Community (EC) Number: 809-481-9
• DSSTox Substance ID: DTXSID10358221
• Wikidata: Q82138639
• Mol file: 90797-58-3.mol

Synonyms:4-chloro-n-cyclopropyl-3-nitrobenzamide;90797-58-3;4-chloro-N-cyclopropyl-3-nitro-benzamide;Oprea1_057783;SCHEMBL2224151;DTXSID10358221;ZUWRELJOMFUPGP-UHFFFAOYSA-N;MFCD02640862;STL123507;AKOS000119048;LS-07308;CS-0242985;EN300-25756;AB00107387-01;SR-01000234075;SR-01000234075-1;Z30841038

Chemical Property of 4-Chloro-n-cyclopropyl-3-nitrobenzamide

Chemical Property:

• Vapor Pressure: 1.33E-06mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 399.9°Cat760mmHg
• PKA: 13.00±0.20(Predicted)
• Flash Point: 195.6°C
• PSA: 78.41000
• Density: 1.45g/cm³
• LogP: 3.23840
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.0301698
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

4-Chloro-N-cyclopropyl-3-nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-n-cyclopropyl-3-nitrobenzamide

There total 2 articles about 4-Chloro-n-cyclopropyl-3-nitrobenzamide 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:

Cyclopropylamine (765-30-0) + 4-chloro-3-nitro-benzoyl chloride (38818-50-7) → 4-chloro-N-cyclopropyl-3-nitro-benzamide (90797-58-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2009.09.052

Reference yield:

→ 4-chloro-N-cyclopropyl-3-nitro-benzamide (90797-58-3)

Guidance literature:

4-Chlor-3-nitro-benzoesaeure, 1.)SOCl2, 2.)Cyclopropylamin ;

DOI:10.1021/jm00341a013

Reference yield:

Homovanillic acid (306-08-1) + 4-chloro-N-cyclopropyl-3-nitro-benzamide (90797-58-3) → C19H18N2O7 (1201900-89-1)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 70 ℃; for 6h;

DOI:10.1016/j.bmcl.2009.09.052

upstream raw materials:

Cyclopropylamine

4-chloro-3-nitro-benzoyl chloride

Downstream raw materials:

C₁₉H₁₈N₂O₇

C₁₈H₁₅ClN₂O₆

3-(3-chloro-benzoylamino)-N-cyclopropyl-4-[4-(2-piperidin-1-yl-ethyl)-piperidin-1-yl]-benzamide