Diethyl (3-cyanopropyl)propanedioate

Base Information

Chemical Name:Diethyl (3-cyanopropyl)propanedioate
CAS No.:63972-18-9
Molecular Formula:C11H17NO4
Molecular Weight:227.26
Hs Code.:2926907090
DSSTox Substance ID:DTXSID50394567
Wikidata:Q82194028

Synonyms:63972-18-9;BUTYRONITRILE DIETHYL MALONATE;Diethyl (3-cyanopropyl)propanedioate;Diethyl 2-(3-cyanopropyl)propanedioate;diethyl 2-(3-cyanopropyl)malonate;Propanedioic acid, (3-cyanopropyl)-,diethyl ester;Propanedioic acid, (3-cyanopropyl)-, diethyl ester;2-(3-cyanopropyl)malonic acid diethyl ester;SCHEMBL9594621;diethyl2-(3-cyanopropyl)malonate;DTXSID50394567;TXBCSTVTPWJWRR-UHFFFAOYSA-N;AKOS028111738;CS-0454489;E85278;1,3-DIETHYL 2-(3-CYANOPROPYL)PROPANEDIOATE

Suppliers and Price of Diethyl (3-cyanopropyl)propanedioate

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
ButyronitrileDiethylMalonate
1g
$ 110.00

Medical Isotopes, Inc.
ButyronitrileDiethylMalonate
5 g
$ 1480.00

Biosynth Carbosynth
Butyronitrile diethyl malonate
25 g
$ 1529.00

Biosynth Carbosynth
Butyronitrile diethyl malonate
2 g
$ 254.40

Biosynth Carbosynth
Butyronitrile diethyl malonate
10 g
$ 840.90

Apolloscientific
Diethyl2-(3-cyanopropyl)malonate
5g
$ 324.00

Apolloscientific
Diethyl2-(3-cyanopropyl)malonate
1g
$ 134.00

American Custom Chemicals Corporation
BUTYRONITRILE DIETHYL MALONATE 95.00%
50G
$ 3465.00

American Custom Chemicals Corporation
BUTYRONITRILE DIETHYL MALONATE 95.00%
25G
$ 2333.10

American Custom Chemicals Corporation
BUTYRONITRILE DIETHYL MALONATE 95.00%
5G
$ 895.13

Total 13 raw suppliers

Chemical Property of Diethyl (3-cyanopropyl)propanedioate

Chemical Property:

Vapor Pressure:0.000268mmHg at 25°C
Boiling Point:323.1oC at 760 mmHg
PKA:12.54±0.59(Predicted)
Flash Point:140.6oC
PSA：76.39000
Density:1.077g/cm3
LogP:1.42268
Storage Temp.:Refrigerator
Solubility.:Chloroform (Soluble), Methanol (Sparingly)
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:227.11575802
Heavy Atom Count:16
Complexity:261

Purity/Quality:

97% ^*data from raw suppliers

ButyronitrileDiethylMalonate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCCC#N)C(=O)OCC

Technology Process of Diethyl (3-cyanopropyl)propanedioate

There total 4 articles about Diethyl (3-cyanopropyl)propanedioate 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: 85.0%