Diethyl (3-pyridylmethyl)malonate

Base Information

Chemical Name:Diethyl (3-pyridylmethyl)malonate
CAS No.:57477-12-0
Molecular Formula:C13H17 N O4
Molecular Weight:251.282
Hs Code.:
European Community (EC) Number:260-758-5
UNII:JY9CJH2WQQ
DSSTox Substance ID:DTXSID80206088
Nikkaji Number:J296.710C
Wikidata:Q83079838
Mol file:57477-12-0.mol

Synonyms:Diethyl (3-pyridylmethyl)malonate;57477-12-0;diethyl 2-(pyridin-3-ylmethyl)propanedioate;JY9CJH2WQQ;EINECS 260-758-5;UNII-JY9CJH2WQQ;SCHEMBL7345369;Diethyl(3-pyridylmethyl)malonate;DTXSID80206088;AKOS018015201;Diethyl 2-(3-pyridinylmethyl) malonate;diethyl 2-(pyridin-3-ylmethyl)malonate;2-(3-Pyridinylmethyl)propanedioic acid diethyl ester;1,3-DIETHYL 2-(PYRIDIN-3-YLMETHYL)PROPANEDIOATE;PROPANEDIOIC ACID, 2-(3-PYRIDINYLMETHYL)-, 1,3-DIETHYL ESTER

Suppliers and Price of Diethyl (3-pyridylmethyl)malonate

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

Total 7 raw suppliers

Chemical Property of Diethyl (3-pyridylmethyl)malonate

Chemical Property:

Vapor Pressure:5.62E-05mmHg at 25°C
Boiling Point:346.8°Cat760mmHg
Flash Point:163.5°C
PSA：65.49000
Density:1.132g/cm³
LogP:1.36650
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:251.11575802
Heavy Atom Count:18
Complexity:262

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CN=CC=C1)C(=O)OCC

Technology Process of Diethyl (3-pyridylmethyl)malonate

There total 6 articles about Diethyl (3-pyridylmethyl)malonate 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: 75.0%

: 3099-31-8
nicotinyl chloride

: 105-53-3
diethyl malonate

: 57477-12-0
(pyridine-3-ylmethyl)malonic acid diethyl ester

Guidance literature:: With potassium carbonate; In ethanol; at 65 ℃; for 8h;
DOI:10.1016/j.bmc.2016.08.038

Reference yield:

: 53361-09-4
diethyl 2-((pyridin-3-yl)methylene)malonate

: 57477-12-0
(pyridine-3-ylmethyl)malonic acid diethyl ester

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; Ambient temperature;
DOI:10.1021/jm00081a024

Reference yield:

: 500-22-1
3-pyridinecarboxaldehyde

: 57477-12-0
(pyridine-3-ylmethyl)malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: piperidine / toluene / 10 h / Heating

2: H₂ / 5percent Pd/C / tetrahydrofuran / Ambient temperature

With piperidine; hydrogen; palladium on activated charcoal; In tetrahydrofuran; toluene;
DOI:10.1021/jm00081a024