1-Acetylpiperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Acetylpiperidine-3-carboxylic acid
• CAS No.: 2637-76-5
• Molecular Formula: C8H13NO3
• Molecular Weight: 171.196
• Hs Code.: 2933399090
• European Community (EC) Number: 813-211-5
• DSSTox Substance ID: DTXSID001291214
• Mol file: 2637-76-5.mol

Synonyms:1-acetylpiperidine-3-carboxylic acid;2637-76-5;1-ACETYL-3-PIPERIDINECARBOXYLIC ACID;3-Piperidinecarboxylic acid, 1-acetyl-;1-Acetyl-piperidine-3-carboxylic acid;MFCD07348751;MFCD11617910;MFCD11617911;1-acetylnipecotic acid;1-N-Acetylnipecotic Acid;SCHEMBL1344119;ODPIDTOGVIDBLN-UHFFFAOYSA-N;DTXSID001291214;HMS1753O10;3-Piperidinecarboxylic acid, 1-acetyl;AKOS000264235;AKOS016344528;SB41312;SB46872;SB46893;AM100595;PS-11610;SY025023;SY100451;SY241638;CS-0213092;EN300-14752;F18253;1-acetylpiperidine-3-carboxylic acid, AldrichCPR;Z85893766

Chemical Property of 1-Acetylpiperidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 131-132oC
• Boiling Point: 374.039oC at 760 mmHg
• PKA: 4.25±0.20(Predicted)
• Flash Point: 180.013oC
• PSA: 57.61000
• Density: 1.214g/cm3
• LogP: 0.26740
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

1-Acetylpiperidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCC(C1)C(=O)O

Technology Process of 1-Acetylpiperidine-3-carboxylic acid

There total 1 articles about 1-Acetylpiperidine-3-carboxylic acid 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:

nipecotic acid (498-95-3,262853-93-0) → 1-acetylpiperidine-3-carboxylic acid (2637-76-5,712270-39-8)

Guidance literature:

With acetic anhydride;

Reference yield: 84.0%

1-acetylpiperidine-3-carboxylic acid (2637-76-5,712270-39-8) + 3-chloro-p-toluidine (95-74-9,827571-80-2) → 1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2014.12.052

Reference yield: 51.0%

1.4-dibromobenzene (106-37-6) + 1-acetylpiperidine-3-carboxylic acid (2637-76-5,712270-39-8) → 1-(3-(4-bromophenyl)piperidin-1-yl)ethan-1-one (881920-19-0)

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; caesium carbonate; nickel dichloride; In tetrahydrofuran; at 40 ℃; for 24h; Reagent/catalyst; Irradiation;

upstream raw materials:

nipecotic acid

Downstream raw materials:

1-acetyl-piperidine-3-carbonyl chloride

(3S)-1-acetyl-N-(2'-anilino-4,4'-bipyridin-2-yl)piperidine-3-carboxamide

1-(3-(4-bromophenyl)piperidin-1-yl)ethan-1-one

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