Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-(Acetylamino)propanedioic acid 1-ethyl ester

Related Products

Hot Products

Name

2-(Acetylamino)propanedioic acid 1-ethyl ester

EINECS N/A
CAS No. 54681-67-3 Density 1.273 g/cm3
PSA 92.70000 LogP -0.47030
Solubility N/A Melting Point N/A
Formula C7H11NO5 Boiling Point N/A
Molecular Weight 189.168 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54681-67-3 (Ethyl Acetamidomalonate) Hazard Symbols N/A
Synonyms

2-(Acetylamino)propanedioic acid 1-ethyl ester;

Article Data 14

2-(Acetylamino)propanedioic acid 1-ethyl ester Specification

The IUPAC name of 2-(Acetylamino)propanedioic acid 1-ethyl ester is 2-Acetamido-3-ethoxy-3-oxopropanoic acid. With the CAS registry number 54681-67-3, it is also named as Ethyl Acetamidomalonate. The product's molecular formula is C7H11NO5 and molecular weight is 189.17.

The other characteristics of this product can be summarized as: (1)XLogP3-AA: -0.4; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 5; (5)Tautomer Count: 2; (6)Exact Mass: 189.063722; (7)MonoIsotopic Mass: 189.063722; (8)Topological Polar Surface Area: 92.7; (9)Heavy Atom Count: 13; (10)Complexity: 225; (11)Density: 1.273 g/cm3.

Preparation of 2-(Acetylamino)propanedioic acid 1-ethyl ester: this chemical can be prepared by Acetylamino-malonic acid diethyl ester.



This reaction needs aq. KOH, ethanol and H2O at temperature of 0 °C. The reaction time is 20 min. The yield is 66 %.

Uses of 2-(Acetylamino)propanedioic acid 1-ethyl ester: it can react with 4-[2-(2-Methyl-[1,3]dioxolan-2-yl)-ethyl]-1H-indole-3-carbaldehyde to get 2-Acetylamino-3-{4-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-1H-indol-3-yl}-acrylic acid ethyl ester.



This reaction needs Ac2O and pyridine. The yield is 78 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCOC(=O)C(C(=O)O)NC(=O)C
(2)InChI: InChI=1S/C7H11NO5/c1-3-13-7(12)5(6(10)11)8-4(2)9/h5H,3H2,1-2H3,(H,8,9)(H,10,11)
(3)InChIKey: OQUXDKMVCGSMPI-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 54681-67-3