Diethyl chloromalonate - ≥95% , CAS No.14064-10-9

CAS: 14064-10-9 Cat. No.: D124445 Summenformel: C₇H₁₁ClO₄ Molekulargewicht: 194.61 EG-Nummer: 237-913-0

QUALITÄT & REINHEIT ≥95%

Synonyms

Diethyl 2-chloromalonate|Diethyl 2-chloromalonate #|4-nitro-1H-1,2,3-triazole|Ethylmonochloromalonate|Propanedioic acid, chloro-, diethyl ester|1,3-Dihydrofuro[3,4-c]pyridine-1,3-dione|5-Hydroxy-pyridine-2-carbaldehyde|diethyl 2-chloropropanedioate|2-Chloro-malonic acid 1,3-diethyl ester|CHLOROPROPANEDIOIC ACID ETHYL ESTER|Ethyl chloromalonate|.ALPHA.-CHLORODIETHYL MALONATE|2-chloro-malonic acid diethyl ester|Bosentan impurity 16|2,6-dimethyl-4-bromoanisole|Chloromalonic acid, diethyl ester|Malonic acid, chloro-, diethyl ester|Nickel bromide (NiBr2)|1,3-diethyl 2-chloropropanedioate|diethylchloromalonate|Diethyl chloromalonate|DIETHYL MONOCHLOROMALONATE|chloromalonic acid diethyl ester|Propanedioic acid, 2-chloro-, 1,3-diethyl ester

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Describtion:

Diethyl chloromalonate (Diethyl α-chloromalonate) is a 2-halo-1,3-dicarbonyl compound. It participates in K2CO3-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs2CO3 in the presence of elemental S8 or Sen to afford the corresponding diethyl thioxo- or selenoxomalonates, which can be trapped in situ with various 1,3-dienes.

Spezifikationen

Synonyme

Diethyl 2-chloromalonate | Diethyl 2-chloromalonate # | 4-nitro-1H-1,2,3-triazole | Ethylmonochloromalonate | Propanedioic acid, chloro-, diethyl ester | 1,3-Dihydrofuro[3,4-c]pyridine-1,3-dione | 5-Hydroxy-pyridine-2-carbaldehyde | diethyl 2-chloropropanedioate | 2-Chloro-malonic acid 1,3-diethyl ester | CHLOROPROPANEDIOIC ACID ETHYL EST Show more

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528772610

Kanonisches Lächeln

CCOC(=O)C(C(=O)OCC)Cl

IUPAC Name

diethyl 2-chloropropanedioate

InChIKey

WLWCQKMQYZFTDR-UHFFFAOYSA-N

INCHI

1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

Isomere SMILES

CCOC(=O)C(C(=O)OCC)Cl

WGK Deutschland

3

Molekulargewicht

194.61

Reaxy-Rn

1101343

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.432
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Molekulargewicht: 194.610 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 194.035 Da
• Monoisotopic Mass: 194.035 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1