61172-70-1

Basic information

• Product Name: DIMETHYL (BOC-AMINO)MALONATE
• Synonyms: DIMETHYL (BOC-AMINO)MALONATE;(boc-amino)malonic acid dimethyl ester
• CAS NO: 61172-70-1
• Molecular Formula: C₁₀H₁₇NO₆
• Molecular Weight: 247.25
• Mol File: 61172-70-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 332.1 °C at 760 mmHg
• Flash Point: 125 °C
• Appearance: /
• Density: 1.148 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.000149mmHg at 25°C
• Refractive Index: n20/D 1.444
• Storage Temp.: 2-8°C
• PKA: 9.80±0.46(Predicted)
• BRN: 2380322
• CAS DataBase Reference: DIMETHYL (BOC-AMINO)MALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL (BOC-AMINO)MALONATE(61172-70-1)
• EPA Substance Registry System: DIMETHYL (BOC-AMINO)MALONATE(61172-70-1)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 61172-70-1(Hazardous Substances Data)

Usage

General Description

DIMETHYL (BOC-AMINO)MALONATE is a chemical compound with the formula C9H15NO5. It is a derivative of malonic acid and is commonly used as a reagent in organic synthesis. The Boc-amino group in the molecule makes it a valuable building block for the synthesis of various pharmaceuticals and bioactive compounds. It is also used in the preparation of peptides, which are important in the field of medicinal chemistry and drug discovery. Additionally, DIMETHYL (BOC-AMINO)MALONATE has applications in the production of agrochemicals and materials science. Overall, this compound has versatile uses in the chemical industry and plays a crucial role in the development of various biologically active molecules.

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

Upstream product

• 124-41-4 sodium methylate 
• 102831-44-7 diethyl tert-butoxycarbonylaminomalonate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 53704-09-9 dimethyl 2-aminomalonate 
• 16115-80-3 dimethyl aminomalonate hydrochloride 
• 186581-53-3 diazomethane 
• 1070-19-5 N-(tert-butyloxycarbonyl) azide 

Downstream Products

• 153180-29-1 Dimethyl amino<(phenylthio)methyl>malonate 
• 153180-14-4 Dimethyl benzamido<(phenylthio)methyl>malonate 
• 153180-31-5 2-Phenyl-5-phenylsulfanyl-oxazole-4,4-dicarboxylic acid dimethyl ester 
• 153180-15-5 Dimethyl (trans-cinnamoylamino)<(phenylthio)methyl>malonate 
• 153180-32-6 Dimethyl 4,5-dihydro-5-(phenylthio)-2-<2(E)-phenylvinyl>oxazole-4,4-dicarboxylate 
• 153180-16-6 Dimethyl (benzyloxyacetamido)<(phenylthio)methyl>malonate 
• 153180-19-9 N-<1',1'-Bis(methoxycarbonyl)-2'-(phenylthio)ethyl>-2-isopropyloxazole-4-carboxamide 
• 153180-35-9 2'-Isopropyl-5-phenylsulfanyl-[2,4']bioxazolyl-4,4-dicarboxylic acid dimethyl ester 
• 153180-33-7 2-Benzyloxymethyl-5-phenylsulfanyl-oxazole-4,4-dicarboxylic acid dimethyl ester 
• 153180-36-0 2-(Chloro-phenylsulfanyl-methyl)-2-[(2-isopropyl-oxazole-4-carbonyl)-amino]-malonic acid dimethyl ester 
• 153180-18-8 Dimethyl <4-<(tert-butoxycarbonyl)-2(R)-methylbutyryl>amino><(phenylthio)methyl>malonate 
• 1027590-50-6 2-((R)-3-tert-Butoxycarbonyl-1-methyl-propyl)-5-phenylsulfanyl-oxazole-4,4-dicarboxylic acid dimethyl ester 
• 153180-17-7 Dimethyl <<4-<(tert-butoxycarbonyl)amino>butyryl>amino><(phenylthio)methyl>malonate 
• 153180-34-8 2-(3-tert-Butoxycarbonylamino-propyl)-5-phenylsulfanyl-oxazole-4,4-dicarboxylic acid dimethyl ester 

Relevant articles and documents

Discovery of novel oxazole-based macrocycles as anti-coronaviral agents targeting SARS-CoV-2 main protease

We have discovered a family of synthetic oxazole-based macrocycles to be active against SARS-CoV-2. The synthesis, pharmacological properties, and docking studies of the compounds are reported in this study. The structure of the new macrocycles was confir

Synthesis of a second-generation pseudopeptide platform

A synthetic pathway is presented to a functionalized pseudopeptide molecular platform for use in supramolecular and solution-phase combinatorial chemistry. The platform contains amino acids with quaternary asymmetric centers, the configurations of which are determined by the method of synthesis. (C) 2000 Elsevier Science Ltd.

Dimethyl Aminomalonate: A Useful C-3 Unit in a Mild, Direct Synthesis of Oxazole-4-carboxylates

N-Acyl derivatives of the title compound undergo oxidative cyclization upon treatment with N-chlorosuccinimide in DMF to form dimethyl 4,5-dihydro-5-(phenylthio)oxazole-4,4-dicarboxylates 4 which then are decarbomethoxylated with concomitant loss of thiop