1-Acetylpiperidine-4-carbaldehyde

Base Information

• Chemical Name: 1-Acetylpiperidine-4-carbaldehyde
• CAS No.: 155826-26-9
• Molecular Formula: C8H13 N O2
• Molecular Weight: 155.197
• Hs Code.: 2933399090
• European Community (EC) Number: 871-046-4
• DSSTox Substance ID: DTXSID00593684
• Wikidata: Q82488206
• Mol file: 155826-26-9.mol

Synonyms:1-Acetylpiperidine-4-carbaldehyde;155826-26-9;1-Acetyl-piperidine-4-carbaldehyde;4-Piperidinecarboxaldehyde, 1-acetyl-;4-Piperidinecarboxaldehyde, 1-acetyl- (9CI);MFCD11582881;1-acetyl-4-piperidinecarboxaldehyde;SCHEMBL57712;DTXSID00593684;N-acetylpiperidine-4-carbaldehyde;UQEFRJJPHHMUQP-UHFFFAOYSA-N;AB8006;AKOS006283924;CS-W006375;SB41345;AM100297;AS-44870;DA-09859;SY101845;EN300-240356;A883616;F2147-1743;Z1116428589

Chemical Property of 1-Acetylpiperidine-4-carbaldehyde

Chemical Property:

• PSA: 37.38000
• LogP: 0.38170
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

1-Acetylpiperidine-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)C=O

Technology Process of 1-Acetylpiperidine-4-carbaldehyde

There total 5 articles about 1-Acetylpiperidine-4-carbaldehyde 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: 40.0%

1-[4-(hydroxymethyl)piperidin-1-yl]ethan-1-one (846057-27-0) → N-acetylpiperidine-4-carboxaldehyde (155826-26-9)

Guidance literature:

With Dess-Martin periodane; In chloroform; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield:

piperazine-1-carbaldehyde (7755-92-2) + 4-nitrophenol acetate (830-03-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-acetylpiperidine-4-carboxaldehyde (155826-26-9)

Guidance literature:

In acetonitrile; at 25 ℃; Solvent; Kinetics; Mechanism;

DOI:10.1002/kin.20994

Reference yield:

1-acetyl-piperidine-4-carboxylic acid ethyl ester (69001-10-1) → N-acetylpiperidine-4-carboxaldehyde (155826-26-9)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; Inert atmosphere;

DOI:10.1021/jm4013104

upstream raw materials:

1-acetyl-piperidine-4-carboxylic acid ethyl ester

piperazine-1-carbaldehyde

4-nitrophenol acetate

4-piperidinemethanol

Downstream raw materials:

C₂₇H₂₉N₅O

methyl [(1S)-1-({(2S)-2-[4-(4′-{2-[8-acetyl-2-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-2,8-diazaspiro[4.5]-dec-3-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}carbonyl)-2-methylpropyl]carbamate