3-Butoxy-4-nitrobenzoyl chloride

Base Information

• Chemical Name: 3-Butoxy-4-nitrobenzoyl chloride
• CAS No.: 23442-21-9
• Molecular Formula: C₁₁H₁₂ClNO₄
• Molecular Weight: 257.674
• DSSTox Substance ID: DTXSID60537701
• Wikidata: Q82412784
• Mol file: 23442-21-9.mol

Synonyms:3-BUTOXY-4-NITROBENZOYL CHLORIDE;23442-21-9;3-BUTOXY-4-NITROBENZOYLCHLORIDE;SCHEMBL22660921;DTXSID60537701

Chemical Property of 3-Butoxy-4-nitrobenzoyl chloride

Chemical Property:

• Boiling Point: 162 °C(Press: 2.5 Torr)
• PSA: 72.12000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 3.67590
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.0454856
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=CC(=C1)C(=O)Cl)[N+](=O)[O-]

Technology Process of 3-Butoxy-4-nitrobenzoyl chloride

There total 1 articles about 3-Butoxy-4-nitrobenzoyl chloride 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:

→ 3-butoxy-4-nitrobenzoyl chloride (23442-21-9)

Guidance literature:

Aus Saeure I mit PCl5;

Reference yield:

3-butoxy-4-nitrobenzoyl chloride (23442-21-9) → 4-amino-3-butoxy-benzoic acid-[2-(2-methyl-piperidino)-ethyl ester]

Guidance literature:

With benzene; Hydrieren der erhaltenen Base an Raney-Nickel in Aethanol;

DOI:10.1002/hlca.19510340404

Reference yield:

1-(2-aminoethyl)piperidine (27578-60-5) + 3-butoxy-4-nitrobenzoyl chloride (23442-21-9) → 4-amino-3-butoxy-benzoic acid-(2-piperidino-ethylamide)

Guidance literature:

und Hydrierung des Reaktionsprodukts an Raney-Nickel in Aethanol;

DOI:10.1002/hlca.19510340404