N-butyl-4-chloro-3-nitrobenzamide

Base Information

• Chemical Name: N-butyl-4-chloro-3-nitrobenzamide
• CAS No.: 59320-12-6
• Molecular Formula: C₁₁H₁₃ClN₂O₃
• Molecular Weight: 256.689
• DSSTox Substance ID: DTXSID30364985
• Wikidata: Q82149277
• Mol file: 59320-12-6.mol

Synonyms:N-butyl-4-chloro-3-nitrobenzamide;59320-12-6;SCHEMBL3406144;DTXSID30364985;MFCD01182368;STK031318;N-n-Butyl-4-chloro-3-nitrobenzamide;AKOS000154576;CS-0322844;AG-690/11634862;SR-01000369841;SR-01000369841-1

Chemical Property of N-butyl-4-chloro-3-nitrobenzamide

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.0614700
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

98%Min ^*data from raw suppliers

N-BUTYL-4-CHLORO-3-NITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of N-butyl-4-chloro-3-nitrobenzamide

There total 3 articles about N-butyl-4-chloro-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: 91.0%

N-butylamine (109-73-9,85404-21-3) + 4-chloro-3-nitrobenzoate (96-99-1) → N-butyl-(4-chloro-3-nitrophenyl)carboxamide (59320-12-6)

Guidance literature:

4-chloro-3-nitrobenzoate; With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In dichloromethane; for 0.0833333h; ice bath;

N-butylamine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/jo0503299

Reference yield:

N-butylamine (109-73-9,85404-21-3) + 4-chloro-3-nitro-benzoyl chloride (38818-50-7) → N-butyl-(4-chloro-3-nitrophenyl)carboxamide (59320-12-6)

Guidance literature:

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

DOI:10.1016/j.bmcl.2009.09.052

Reference yield:

→ N-butyl-(4-chloro-3-nitrophenyl)carboxamide (59320-12-6)

Guidance literature:

4-Chlor-3-nitrobenzoesaeure, Thionylchlorid, n-Butylamin (S.59);

DOI:10.1016/0040-4020(76)80021-X

upstream raw materials:

N-butylamine

4-chloro-3-nitrobenzoate

4-chloro-3-nitro-benzoyl chloride

Downstream raw materials:

C₂₀H₂₂N₂O₇

C₂₇H₂₉ClN₂O₅

C₂₇H₂₆Cl₂F₂N₂O₇S

C₂₁H₂₄F₂N₂O₅