3-Nitro-4-(piperidin-1-yl)benzaldehyde

Base Information

• Chemical Name: 3-Nitro-4-(piperidin-1-yl)benzaldehyde
• CAS No.: 39911-29-0
• Molecular Formula: C12H14N2O3
• Molecular Weight: 234.25100
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90371817
• Wikidata: Q82159274
• Mol file: 39911-29-0.mol

Synonyms:39911-29-0;3-Nitro-4-(piperidin-1-yl)benzaldehyde;3-NITRO-4-PIPERIDINOBENZALDEHYDE;3-nitro-4-piperidin-1-ylbenzaldehyde;3-nitro-4-(1-piperidinyl)benzaldehyde;3-Nitro-4-piperidinobenzenecarbaldehyde;SCHEMBL1418324;DTXSID90371817;BNNMEAFYZHALEC-UHFFFAOYSA-N;MFCD00831780;AKOS000345390;3-nitro-4-piperidin-1-yl-benzaldehyde;SB43244;CS-0206825;FT-0616223;EN300-15569;D95934;4Y-0715;A824804;SR-01000041083;SR-01000041083-1;Z31192689

Chemical Property of 3-Nitro-4-(piperidin-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 6.91E-07mmHg at 25°C
• Melting Point: 48oC
• Boiling Point: 408.6oC at 760 mmHg
• PKA: 1.44±0.40(Predicted)
• Flash Point: 200.9oC
• PSA: 66.13000
• Density: 1.264g/cm3
• LogP: 2.98580
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

3-Nitro-4-piperidinobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Technology Process of 3-Nitro-4-(piperidin-1-yl)benzaldehyde

There total 2 articles about 3-Nitro-4-(piperidin-1-yl)benzaldehyde 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: 81.0%

piperidine (110-89-4) + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-(N-piperidinyl)-3-nitrobenzaldehyde (39911-29-0)

Guidance literature:

With [2,2]bipyridinyl; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.cclet.2010.03.028

Reference yield:

piperidine (110-89-4) + 4-fluoro-3-nitrobenzaldehyde (42564-51-2) → 4-(N-piperidinyl)-3-nitrobenzaldehyde (39911-29-0)

Guidance literature:

With PS-morpholine; In chloroform; at 50 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.09.057

upstream raw materials:

piperidine

4-fluoro-3-nitrobenzaldehyde

4-chloro-3-nitro-benzaldehyde