137401-45-7

Basic information

• Product Name: 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER
• Synonyms: 2-[N-(tert-butoxy)forMaMido]-3-ethoxy-3-oxopropanoic acid;2-((tert-Butoxycarbonyl)aMino)-3-ethoxy-3-oxopropanoic acid;Propanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-ethyl ester;2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER;2-(N-Boc-amino)malonic Acid Monoethyl Ester Discontinued See: D443800;Ethyl tert-Butoxycarbonyl-DL-aminomalonate;2-Tert-Butoxycarbonylaminomalonic acid monoethyl ester;3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoic acid
• CAS NO: 137401-45-7
• Molecular Formula: C₁₀H₁₇NO₆
• Molecular Weight: 247.24508
• Product Categories: Aliphatics;Amines
• Mol File: 137401-45-7.mol
• Article Data: 16

Chemical Properties

• Melting Point: 98-990C
• Boiling Point: 397.2°C at 760 mmHg
• Flash Point: 194°C
• Appearance: /
• Density: 1.209g/cm³
• Vapor Pressure: 2.03E-07mmHg at 25°C
• Refractive Index: 1.469
• Storage Temp.: 2-8°C
• PKA: 2.12±0.34(Predicted)
• CAS DataBase Reference: 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER(137401-45-7)
• EPA Substance Registry System: 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER(137401-45-7)

Safety Data

• Hazardous Substances Data: 137401-45-7(Hazardous Substances Data)

Usage

Description

2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is a white solid chemical compound that readily decarboxylates. It can be synthesized from D443800 and is typically used immediately after preparation. A procedure for its synthesis can be provided upon request.

Uses

1. Used in Chemical Synthesis:
2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is used as an intermediate in the synthesis of various organic compounds due to its reactivity and decarboxylation properties.
2. Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is used as a building block for the development of new drugs, particularly in the synthesis of complex molecules that require its specific chemical properties.
3. Used in Research and Development:
2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is utilized in research and development laboratories for studying its chemical properties, reactivity, and potential applications in various fields, including material science and pharmaceuticals.
4. Used in Custom Synthesis Services:
2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is also used in custom synthesis services, where it can be tailored to specific client requirements for various applications, such as drug development or advanced materials research.

InChI:InChI=1/C10H17NO6/c1-5-16-8(14)6(7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)

Upstream product

• 13433-00-6 diethyl aminomalonate hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 102831-44-7 diethyl tert-butoxycarbonylaminomalonate 

Downstream Products

• 222976-59-2 2-tert-butoxycarbonylamino-N-(1-methoxycarbonyl-2-phenyl-ethyl)-malonamic acid ethyl ester 
• 1438241-83-8 ethyl 2-((tert-butoxycarbonyl)amino)-2-(methyl(phenyl)amino)acetate 

Relevant articles and documents

Demonstrating Ligandability of the LC3A and LC3B Adapter Interface

Autophagy is the common name for a number of lysosome-based degradation pathways of cytosolic cargos. The key components of autophagy are members of Atg8 family proteins involved in almost all steps of the process, from autophagosome formation to their selective fusion with lysosomes. In this study, we show that the homologous members of the human Atg8 family proteins, LC3A and LC3B, are druggable by a small molecule inhibitor novobiocin. Structure-activity relationship (SAR) studies of the 4-hydroxy coumarin core scaffold were performed, supported by a crystal structure of the LC3A dihydronovobiocin complex. The study reports the first nonpeptide inhibitors for these protein interaction targets and will lay the foundation for the development of more potent chemical probes for the Atg8 protein family which may also find applications for the development of autophagy-mediated degraders (AUTACs).

PYRAZOLO[3,4-b]PYRIDINES AND IMIDAZO[1,5-b]PYRIDAZINES AS PDE1 INHIBITORS

The present invention provides compounds of formula (I) that are PDE1 enzyme inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating disorders using the compounds of the invention.

Synthesis of 1-benzyloxypyrazin-2(1H)-one derivatives

Different approaches for the synthesis of 1-benzyloxypyrazin-2(1H)-one derivatives from simple amino acids have been investigated. A library of 33 precursors for the preparation of N-hydroxy pyrazinones was obtained in moderate to good yields.