1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate

Base Information

Chemical Name:1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate
CAS No.:59726-39-5
Molecular Formula:C13H22O4
Molecular Weight:242.315
Hs Code.:
DSSTox Substance ID:DTXSID101186648

Synonyms:59726-39-5;1,3-diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate;diethyl 2-propan-2-yl-2-prop-2-enylpropanedioate;SCHEMBL8847820;(1-Methylethyl)-2-propenyl Diethyl Ester Propanedioic Acid;DTXSID101186648;AKOS033816376;EN300-246170;Z1626984945;1,3-diethyl2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate;1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate

Suppliers and Price of 1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)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
(1-Methylethyl)-2-propenylDiethylEsterPropanedioicAcid
2.5g
$ 1710.00

TRC
(1-Methylethyl)-2-propenylDiethylEsterPropanedioicAcid
500mg
$ 400.00

Total 2 raw suppliers

Chemical Property of 1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:242.15180918
Heavy Atom Count:17
Complexity:263

Purity/Quality:

95% ^*data from raw suppliers

(1-Methylethyl)-2-propenylDiethylEsterPropanedioicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC=C)(C(C)C)C(=O)OCC
Uses (1-Methylethyl)-2-propenyl Diethyl Ester Propanedioic Acid is an intermediate in the synthesis of Propanedioic acid, 2-(1-methylethyl)-2-propyl-, 1,3-diethyl ester (M305005), which is used in the cyclization of appropriate reactants.Intermediate in barbiturate products.

Technology Process of 1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate

There total 6 articles about 1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)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: 97.0%

: 759-36-4
diethyl isopropylmalonate

: 106-95-6
allyl bromide

: 59726-39-5
ethyl 2-carbethoxy-α-isopropyl pent-4-enoate

Guidance literature:: diethyl isopropylmalonate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.666667h;

allyl bromide; In tetrahydrofuran; at 20 ℃;
DOI:10.1055/s-0037-1611085

Reference yield:

: 64-17-5
ethanol

: 106-95-6
allyl bromide

: 609-08-5
Diethyl methylmalonate

: 59726-39-5
ethyl 2-carbethoxy-α-isopropyl pent-4-enoate

Guidance literature:: In sodium;

Reference yield:

: 759-36-4
diethyl isopropylmalonate

: 59726-39-5
ethyl 2-carbethoxy-α-isopropyl pent-4-enoate

Guidance literature:: With sodium ethanolate; Diethyl carbonate; Abdestillieren des entstehenden Alkohols, Versetzen mit Allylbromid und Erhitzen auf 100-105grad;