Piperidin-1-ium-4-carboxylate

Base Information

• Chemical Name: Piperidin-1-ium-4-carboxylate
• CAS No.: 498-94-2
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.159
• Hs Code.: 29333999
• Mol file: 498-94-2.mol

Synonyms:piperidin-1-ium-4-carboxylate;4-piperidinic acid

Chemical Property of Piperidin-1-ium-4-carboxylate

Chemical Property:

• Appearance/Colour: white to faint pink-beige powder
• Vapor Pressure: 0.0026mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.478
• Boiling Point: 265.8 °C at 760 mmHg
• PKA: pK1:3.73(+1);pK2:10.72(0) (25°C)
• Flash Point: 114.5 °C
• PSA: 49.33000
• Density: 1.125 g/cm³
• LogP: 0.39940
• Storage Temp.: Store at 0-5°C
• Solubility.: Water
• Water Solubility.: soluble
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 102

Purity/Quality:

99%, ^*data from raw suppliers

Isonipecotic acid 99+% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C[NH2+]CCC1C(=O)[O-]
• Uses: A GABA-A receptor partial agonist

Technology Process of Piperidin-1-ium-4-carboxylate

There total 19 articles about Piperidin-1-ium-4-carboxylate 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: 100.0%

Piperidine-4-carboxylic acid 3-methyl-but-2-enyl ester → isonipecotic acid (498-94-2)

Guidance literature:

With diethylamine; Pd⁽⁰⁾ (in situ from Pd(OAc)2 and m.sulfonated triphenylphosphine); In water; acetonitrile; for 0.166667h; 5 molpercent catalyst;

DOI:10.1016/S0040-4039(00)78497-8

Reference yield: 99.0%

Isonicotinic acid N-oxide (13602-12-5) → isonipecotic acid (498-94-2)

Guidance literature:

With ammonium formate; 10percent palladium on carbon; In methanol; at 20 ℃; for 16h;

DOI:10.1021/jo015649g

Reference yield: 95.0%

→ isonipecotic acid (498-94-2)

Guidance literature:

upstream raw materials:

pyridine-4-carboxylic acid

4-bromo-2-(2-bromo-ethyl)-butyric acid ethyl ester

2,6-dichloropyridine-4-carboxylic acid

piperidine

Downstream raw materials:

1-indol-3-ylmethyl-piperidine-4-carboxylic acid

1-methylpiperidine-4-carboxylic acid

isonipecotic acid methyl ester

4-carbethoxypiperidine

Refernces

• 1、 -. "Preparation method N-Boc-4 -piperidinecarboxylic acid". Paragraph 0012; 0031-0037. . Retrieved 2021/11/06.
• 2、 Nojiri, Masutoshi,Taoka, Naoaki,Yasohara, Yoshihiko. "Characterization of an enantioselective amidase from Cupriavidus sp. KNK-J915 (FERM BP-10739) useful for enzymatic resolution of racemic 3-piperidinecarboxamide". . p. 136 - 142. Retrieved 2014/12/10.