4-(2-Oxopiperidin-1-yl)butanoic acid

Base Information

• Chemical Name: 4-(2-Oxopiperidin-1-yl)butanoic acid
• CAS No.: 82360-26-7
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.223
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID30511250
• Wikidata: Q82369969
• Mol file: 82360-26-7.mol

Synonyms:4-(2-Oxopiperidin-1-yl)butanoic acid;82360-26-7;SCHEMBL1627525;DTXSID30511250;MFCD08059937;4-(2-Oxopiperidin-1-yl)butanoicacid;AKOS004115413;4-(2-oxo-1-piperidinyl)butanoic acid;SB41183;BS-36185;CS-0366277;FT-0702814;EN300-878259;4-(2-Oxopiperidin-1-yl)butanoic acid, AldrichCPR

Chemical Property of 4-(2-Oxopiperidin-1-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 409.806°C at 760 mmHg
• Flash Point: 201.644°C
• PSA: 57.61000
• Density: 1.163g/cm³
• LogP: 0.80160
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Oxopiperidin-1-yl)butanoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C(=O)C1)CCCC(=O)O

Technology Process of 4-(2-Oxopiperidin-1-yl)butanoic acid

There total 7 articles about 4-(2-Oxopiperidin-1-yl)butanoic 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: 86.0%

N-(3-carbethoxypropyl)-2-piperidinone (82360-25-6) → γ-(N-2-piperidinonyl)butyric acid (82360-26-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 16h; Ambient temperature;

DOI:10.1016/0040-4020(82)80005-7

Reference yield:

N-(3-oxobutyl)valerolactam (154656-92-5) → γ-(N-2-piperidinonyl)butyric acid (82360-26-7)

Guidance literature:

With sodium hydroxide; silver nitrate; at 0 ℃; for 0.0833333h;

Reference yield:

N-(4-(tetrahydropyranyloxy)butyl)valerolactam (154656-90-3) → γ-(N-2-piperidinonyl)butyric acid (82360-26-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / Amberlyst-15 / methanol / 6 h / 45 °C

2: 1.) (COCl)2, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -60 deg C, 15 min, 2.) CH₂Cl₂, -60 deg C, 5 min

3: AgNO₃, aq. NaOH / 0.08 h / 0 °C

With sodium hydroxide; amberlyst-15; oxalyl dichloride; silver nitrate; dimethyl sulfoxide; triethylamine; In methanol;

upstream raw materials:

4-butanolide

piperidin-2-one

2-methoxypyridine

Ethyl 4-bromobutyrate

Downstream raw materials:

indolizidine

Refernces

• 1、 McHintosh, John M.,Pillon, Lilianna Z.,Acquaah, Samuel O.,Green, James R.,White, Graham S.. "Enamines and iminium salts from amino-acids". . p. 2016 - 2021. Retrieved 2007/10/02.
• 2、 McIntosh, John M.. "AZAPROPELLANES AS PHASE-TRANSFER CATALYSTS-II A CMR AND PMR STUDY OF THE THREE-DIMENSIONAL STRUCTURE OF 1-AZONIAPROPELLANES CONTAINING 5- AND 6-MEMBERED RINGS". . p. 261 - 266. Retrieved 2007/10/02.