Cas no 82291-79-0 (diethyl (acetylamino)(4-methylbenzyl)propanedioate)

Diethyl (acetylamino)(4-methylbenzyl)propanedioate is a specialized organic compound featuring a propanedioate core substituted with an acetylamino group and a 4-methylbenzyl moiety. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of heterocyclic compounds and peptidomimetics. The presence of both ester and amide functionalities enhances its reactivity in nucleophilic substitution and condensation reactions. Its stability under standard conditions and compatibility with common organic solvents facilitate handling in laboratory settings. The compound’s modular design allows for further functionalization, making it useful in pharmaceutical and agrochemical research for developing bioactive molecules. Its well-defined stereochemistry also supports applications in asymmetric synthesis.

diethyl (acetylamino)(4-methylbenzyl)propanedioate structure

82291-79-0 structure

Product Name:diethyl (acetylamino)(4-methylbenzyl)propanedioate

CAS No:82291-79-0

MF:C₁₇H₂₃NO₅

MW:321.368225336075

CID:987657

PubChem ID:227957

Update Time:2025-06-24

diethyl (acetylamino)(4-methylbenzyl)propanedioate Chemical and Physical Properties

Names and Identifiers

- diethyl (acetylamino)(4-methylbenzyl)propanedioate
- diethyl 2-acetamido-2-[(4-methylphenyl)methyl]propanedioate
- NSC-20180
- NSC20180
- Diethyl acetamido[(4-methylphenyl)methyl]propanedioate
- DTXSID50281120
- SCHEMBL11124323
- diethyl acetamido(4-methylbenzyl)malonate
- 2-ACETYLAMINO-2-(4-METHYL-BENZYL)-MALONIC ACID DIETHYL ESTER
- AKOS024326154
- 82291-79-0
- BS-42532
- 1,3-diethyl 2-acetamido-2-[(4-methylphenyl)methyl]propanedioate
- Inchi： 1S/C17H23NO5/c1-5-22-15(20)17(18-13(4)19,16(21)23-6-2)11-14-9-7-12(3)8-10-14/h7-10H,5-6,11H2,1-4H3,(H,18,19)
- InChI Key： VGFIIMBBIHQYKL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC1C=CC(C)=CC=1)NC(C)=O)=O

Computed Properties

Exact Mass: 321.15762283g/mol
Monoisotopic Mass: 321.15762283g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Heavy Atom Count: 23
Rotatable Bond Count: 9
Complexity: 409
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: 2.5
Topological Polar Surface Area: 81.7?2

diethyl (acetylamino)(4-methylbenzyl)propanedioate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
eNovation Chemicals LLC	Y1248341-1g	diethyl acetamido(4-methylbenzyl)malonate	82291-79-0	95%	1g	$330	2024-06-07
1PlusChem	1P0056FS-1g	diethyl acetamido(4-methylbenzyl)malonate	82291-79-0	95%	1g	$240.00	2024-04-21
A2B Chem LLC	AC40824-1g	diethyl acetamido(4-methylbenzyl)malonate	82291-79-0	95%	1g	$253.00	2024-04-19
eNovation Chemicals LLC	Y1248341-1g	diethyl acetamido(4-methylbenzyl)malonate	82291-79-0	95%	1g	$330	2025-02-26
eNovation Chemicals LLC	Y1248341-1g	diethyl acetamido(4-methylbenzyl)malonate	82291-79-0	95%	1g	$330	2025-02-20