Isonipecotic acid hydrochloride

Base Information

• Chemical Name: Isonipecotic acid hydrochloride
• CAS No.: 5984-56-5
• Molecular Formula: C6H11 N O2 . Cl H
• Molecular Weight: 165.62
• Hs Code.: 2933399090
• European Community (EC) Number: 611-901-9
• UNII: 9Y7QNE4DH3
• DSSTox Substance ID: DTXSID00208564
• Wikidata: Q27273381
• Mol file: 5984-56-5.mol

Synonyms:Isonipecotic acid hydrochloride;5984-56-5;piperidine-4-carboxylic acid hydrochloride;4-Piperidinecarboxylic acid, hydrochloride;Piperidine-4-carboxylic acid, HCl;4-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE;Isonipecotic acid, hydrochloride;piperidine-4-carboxylic acid;hydrochloride;Isonipecotic acid hydrochloride [MI];UNII-9Y7QNE4DH3;9Y7QNE4DH3;4-Piperidinecarboxylic acid, hydrochloride (1:1);SCHEMBL1703706;DTXSID00208564;MFCD00044736;AKOS015897807;piperidine-4-carboxylicacidhydrochloride;SB10228;PIPERIDINE-4-CARBOXYLIC ACID HCL;TS-02226;CS-0054434;FT-0635929;O12044;A832502;Q27273381;F0001-1572

Chemical Property of Isonipecotic acid hydrochloride

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.0026mmHg at 25°C
• Melting Point: 314～316ºC
• Boiling Point: 265.8 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 49.33000
• Density: 1.39g/cm3 at 20℃
• LogP: 1.20140
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 320 g/L (20 ºC)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.0556563
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99.9% ^*data from raw suppliers

Piperidine-4-carboxylicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C(=O)O.Cl

Technology Process of Isonipecotic acid hydrochloride

There total 3 articles about Isonipecotic acid hydrochloride 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: 99.0%

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid (84358-13-4,174286-31-8) → piperidine-4-carboxylic acid hydrochloride (5984-56-5)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 2h;

Reference yield: 98.0%

pyridine-4-carboxylic acid (55-22-1) → piperidine-4-carboxylic acid hydrochloride (5984-56-5)

Guidance literature:

pyridine-4-carboxylic acid; With hydrogen; In water; at 160 ℃; for 24h; under 45004.5 Torr; Autoclave;

With hydrogenchloride; chemoselective reaction;

DOI:10.1002/anie.201803426

Reference yield:

→ piperidine-4-carboxylic acid hydrochloride (5984-56-5)

Guidance literature:

upstream raw materials:

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

pyridine-4-carboxylic acid

Downstream raw materials:

1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-4-carboxylic acid

morpholino(piperidine-4-yl)methanone hydrochloride

1-acetyl-piperidine-4-carboxylic acid

Refernces

• 1、 -. "TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS". Page/Page column 117. . Retrieved 2016/03/19.