Cas no 50790-26-6 (Diethyl 2-allyl-2-phenylmalonate)

Diethyl 2-allyl-2-phenylmalonate is a versatile malonate ester derivative characterized by its allyl and phenyl substituents, which enhance its reactivity in organic synthesis. This compound is particularly useful as a building block in the preparation of complex molecules, including pharmaceuticals and fine chemicals, due to its ability to undergo nucleophilic substitution, Michael additions, and cyclization reactions. The presence of both ester and allyl groups offers flexibility for further functionalization, while the phenyl group contributes to steric and electronic modulation. Its stability under standard conditions and compatibility with a range of reagents make it a practical choice for synthetic applications requiring controlled C–C bond formation.

Diethyl 2-allyl-2-phenylmalonate structure

50790-26-6 structure

Product Name:Diethyl 2-allyl-2-phenylmalonate

CAS No:50790-26-6

MF:C₁₆H₂₀O₄

MW:276.327605247498

CID:2829489

PubChem ID:10683862

Update Time:2025-06-08

Diethyl 2-allyl-2-phenylmalonate Chemical and Physical Properties

Names and Identifiers

- Diethyl 2-allyl-2-phenylmalonate
- SCHEMBL10951249
- 50790-26-6
- EN300-152473
- diethyl allylphenylmalonate
- diethyl 2-phenyl-2-prop-2-enylpropanedioate
- 1,3-diethyl2-phenyl-2-(prop-2-en-1-yl)propanedioate
- ACA79026
- CS-0235063
- 1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate
- Inchi： 1S/C16H20O4/c1-4-12-16(14(17)19-5-2,15(18)20-6-3)13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3
- InChI Key： UNVUUVYPBGPMGH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C1C=CC=CC=1)CC=C)=O

Computed Properties

Exact Mass: 276.13615911Da
Monoisotopic Mass: 276.13615911Da
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 20
Rotatable Bond Count: 9
Complexity: 324
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.5
Topological Polar Surface Area: 52.6?2

Diethyl 2-allyl-2-phenylmalonate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	D443738-2.5mg	Diethyl 2-allyl-2-phenylmalonate	50790-26-6		2.5mg	$ 127.00	2023-09-07
TRC	D443738-5mg	Diethyl 2-allyl-2-phenylmalonate	50790-26-6		5mg	$ 219.00	2023-09-07
TRC	D443738-10mg	Diethyl 2-allyl-2-phenylmalonate	50790-26-6		10mg	$ 402.00	2023-09-07
A2B Chem LLC	AV65672-2.5g	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	2.5g	$1655.00	2024-04-19
A2B Chem LLC	AV65672-5g	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	5g	$2432.00	2024-04-19
A2B Chem LLC	AV65672-10g	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	10g	$3589.00	2024-04-19
A2B Chem LLC	AV65672-50mg	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	50mg	$227.00	2024-04-19
A2B Chem LLC	AV65672-100mg	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	100mg	$322.00	2024-04-19
A2B Chem LLC	AV65672-250mg	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	250mg	$445.00	2024-04-19
A2B Chem LLC	AV65672-500mg	1,3-diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate	50790-26-6	95%	500mg	$681.00	2024-04-19