Diethyl benzamidomalonate

Base Information Edit

Chemical Name:Diethyl benzamidomalonate
CAS No.:96-86-6
Molecular Formula:C14H17NO5
Molecular Weight:279.293
Hs Code.:2924299090
European Community (EC) Number:202-540-4
NSC Number:121984,80
DSSTox Substance ID:DTXSID80914696
Nikkaji Number:J146.958D
Wikidata:Q82885505
Mol file:96-86-6.mol

Synonyms:Diethyl benzamidomalonate;16798-45-1;Diethyl 2-benzamidomalonate;96-86-6;diethyl 2-benzamidopropanedioate;1,3-diethyl 2-(phenylformamido)propanedioate;Diethyl benzoylaminomalonate;Benzamidomalonic acid, diethyl ester;EINECS 202-540-4;MFCD00015160;Diethyl-N-benzoylamino malonate;Ethyl benzaminomalonate;Diethyl2-benzamidomalonate;NSC80;diethyl 2-benzoylaminomalonate;NSC 80;NSC-80;SCHEMBL5784044;Diethyl 2-(benzoylamino)malonate;DTXSID80914696;Diethyl 2-(benzoylamino)malonate #;NSC121984;AKOS005206817;NSC 121984;NSC-121984;(Benzoylamino)malonic acid diethyl ester;NCGC00324416-01;AS-59243;CS-0299198;DIETHYL 2-(BENZOYLAMINO)PROPANEDIOATE;EN300-43890;AB00694305-03;AB-131/40897079;Propanedioic acid, (benzoylamino)-, diethyl ester;J-010419;Z169860246;N-(1,3-Diethoxy-1,3-dioxopropan-2-yl)benzenecarboximidic acid

Suppliers and Price of Diethyl benzamidomalonate

Supply Marketing:Edit

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
DiethylBenzoylaminomalonate
10g
$ 185.00

Sigma-Aldrich
DIETHYL BENZAMIDOMALONATE Aldrich
250mg
$ 32.30

Total 8 raw suppliers

Chemical Property of Diethyl benzamidomalonate Edit

Chemical Property:

Vapor Pressure:3.82E-08mmHg at 25°C
Boiling Point:452.9°Cat760mmHg
Flash Point:227.7°C
PSA：81.70000
Density:1.182g/cm³
LogP:1.30210
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:279.11067264
Heavy Atom Count:20
Complexity:332

Purity/Quality:

99% ^*data from raw suppliers

DiethylBenzoylaminomalonate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.;

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1
Uses Diethyl Benzoylaminomalonate is an intermediate in the synthesis of (-)-Kaitocephalin, an natural toxin with protective properties against excitotoxic death found in cultured neurons.

Technology Process of Diethyl benzamidomalonate

There total 6 articles about Diethyl benzamidomalonate 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: 96.0%

: 13433-00-6
diethyl aminomalonate hydrochloride

: 98-88-4
benzoyl chloride

: 96-86-6
diethyl benzamidomalonate

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 19h;
DOI:10.1002/adsc.202001262

Reference yield: 94.0%

: 6829-40-9
aminomalonic acid diethyl ester

: 98-88-4
benzoyl chloride

: 96-86-6
diethyl benzamidomalonate

Guidance literature:: With N-ethyl-N,N-diisopropylamine;
DOI:10.1016/j.tet.2005.12.065

Reference yield:

: 6829-41-0
diethyl oximinomalonate

: 96-86-6
diethyl benzamidomalonate

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; ethanol / 40 - 50 °C / 2280 Torr / Hydrogenation

2: pyridine; water

With pyridine; ethanol; water; nickel;