4-(Methoxycarbonyl)piperidin-1-ium

Base Information

Chemical Name:4-(Methoxycarbonyl)piperidin-1-ium
CAS No.:2971-79-1
Molecular Formula:C7H13NO2
Molecular Weight:143.186
Hs Code.:29333990
DSSTox Substance ID:DTXSID10952167
Wikidata:Q72492227
Mol file:2971-79-1.mol

Synonyms:DTXSID10952167;4-(Methoxycarbonyl)piperidin-1-ium

Suppliers and Price of 4-(Methoxycarbonyl)piperidin-1-ium

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
IsonipecoticAcidMethylEster
250 ml
$ 225.00

TCI Chemical
Methyl 4-Piperidinecarboxylate >98.0%(T)
5g
$ 24.00

TCI Chemical
Methyl 4-Piperidinecarboxylate >98.0%(T)
25g
$ 69.00

SynQuest Laboratories
Methyl piperidine-4-carboxylate
500 g
$ 272.00

SynQuest Laboratories
Methyl piperidine-4-carboxylate
100 g
$ 92.00

Sigma-Aldrich
Methyl isonipecotate technical grade
100ml
$ 137.00

Sigma-Aldrich
Methyl isonipecotate technical grade
25ml
$ 46.90

Oakwood
MethylPiperidine-4-carboxylate 95%
25g
$ 20.00

Oakwood
MethylPiperidine-4-carboxylate 95%
10g
$ 10.00

Medical Isotopes, Inc.
IsonipecoticAcidMethylEster
100 mL
$ 650.00

Total 115 raw suppliers

Chemical Property of 4-(Methoxycarbonyl)piperidin-1-ium

Chemical Property:

Appearance/Colour:White to off-white crysrallic powder
Vapor Pressure:0.457mmHg at 25°C
Melting Point:50oC
Refractive Index:1.465
Boiling Point:193.8 °C at 760 mmHg
PKA:9.78±0.10(Predicted)
Flash Point:71 °C
PSA：42.91000
Density:1.021 g/cm³
LogP:0.70200
Storage Temp.:Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Solubility.:Chloroform
Water Solubility.:Slightly soluble in water.
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:144.102453689
Heavy Atom Count:10
Complexity:119

Purity/Quality:

99%Min ^*data from raw suppliers

IsonipecoticAcidMethylEster ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CC[NH2+]CC1
Uses Methyl piperidine-4-carboxylate is a reactant for C-2 arylation of piperidines through directed transition metal-catalyzed sp3 C-H activation. It is used as a reactant for synthesis of antitubercular agents, aminopyrazine inhibitors, orally available naphthyridine protein kinase D inhibitors and a scalable catalyst from asymmetric hydrogenation of sterically demanding aryl enamide. Methyl isonipecotate may be used for the synthesis of a series of potent non-urea soluble epoxide hydrolase (sEH) inhibitors via high throughput screens. 4-Piperidinecarboxylic acid methyl ester is a an ester derivative of 4-piperidinecarboxylic acid used as a reagent in the organic synthesis of neurochemicals, antibacterials and other biologically active compounds.

Technology Process of 4-(Methoxycarbonyl)piperidin-1-ium

There total 10 articles about 4-(Methoxycarbonyl)piperidin-1-ium 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%

: 67-56-1
methanol

: 498-94-2
isonipecotic acid

: 2971-79-1
isonipecotic acid methyl ester

Guidance literature:: With thionyl chloride; at 0 ℃; Reflux;
DOI:10.1021/acs.jmedchem.0c02042

Reference yield: 93.0%

: 2459-09-8
4-pyridinecarboxylic acid, methyl ester

: 2971-79-1
isonipecotic acid methyl ester

Guidance literature:: With platinum on carbon; hydrogen; In acetic acid; at 80 ℃; under 22502.3 Torr; Continuous flow;
DOI:10.1002/ejoc.200801131

Reference yield: 89.0%

: 1262670-73-4
N-tritylisonipecotic acid methyl ester

: 2971-79-1
isonipecotic acid methyl ester

Guidance literature:: With ammonium cerium (IV) nitrate; water; acetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.10.118