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14064-10-9

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14064-10-9 Usage

Chemical Properties

Clear Colourless Liquid

Uses

Different sources of media describe the Uses of 14064-10-9 differently. You can refer to the following data:
1. Diethyl chloromalonate is a compound used in the models of aquatic toxicity developed
2. A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.

General Description

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.

Check Digit Verification of cas no

The CAS Registry Mumber 14064-10-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,0,6 and 4 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 14064-10:
(7*1)+(6*4)+(5*0)+(4*6)+(3*4)+(2*1)+(1*0)=69
69 % 10 = 9
So 14064-10-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

14064-10-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Diethyl chloromalonate

1.2 Other means of identification

Product number -
Other names Diethyl 2-chloromalonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:14064-10-9 SDS

14064-10-9Relevant articles and documents

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Baizer,M.M.,Chruma,J.L.

, p. 1951 - 1960 (1972)

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Wyman et al.

, p. 2706 (1964)

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Villieras, Jean

, p. 209 - 219 (1972)

The preparation of magnesium, zinc or lithium malonic or acetoacetic type enolates through halogen-metal interconversion or direct reaction of a metal on the appropriate halogenated compound is reported. The properties of these new reagents (electrophilicity, nucleophilicity and stability) are compared to those of gem-halogenated organometallics and unchelated enolates.

Preparation and refining method of high-purity diethyl malonate

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Paragraph 0062-0064, (2021/10/16)

The invention relates to a preparation and refining method of high-purity diethyl malonate, and belongs to the technical field of chemical preparation. The preparation method can obtain high-purity chloropropionic acid diethyl ester by taking diethyl malonate as the starting material, carrying out the reaction with sodium sulfite instead of reacting with sodium sulfite, and carrying out rectification and purification. Compared with the prior art, the method has the advantages of cheap and easily available raw materials and reduced production cost. The purity of the product after rectification purification is up to 99%. The reaction time is short, and the production cycle is shortened. No complicated post-treatment operation is needed in the reaction, and the operation is simple. The compound I rectified by the reaction can be recycled, and the atom economy of the reaction is good. The reaction does not generate a large amount of waste liquid and is more environment-friendly.

Synthesis of 2-Monochloropanol Fatty Acid Esters and Their Acute Oral Toxicities in Swiss Mice

Zhang, Zhongfei,Yang, Puyu,Gao, Boyan,Huang, Guoren,Liu, Man,Yu, Liangli Lucy

, p. 3789 - 3795 (2019/04/10)

A novel synthetic route was designed, developed, and utilized to synthesize six high-purity 2-monochloropropanediol fatty acid esters (2-MCPD esters), a group of potential processing-induced food contaminants. A chlorine atom was introduced to C-2 of a diethyl malonate molecule, which was reduced by NaBH4 and followed by esterification using fatty acids. The reaction products were isolated and purified using silica gel columns to obtain three 2-MCPD monoesters and three diesters at about 50-54% and 56-59% yields, respectively. In addition, 2-MCPD monopalmitate and dipalmitate were examined for their acute oral toxicities in Swiss mice. The LD50 values of 2-MCPD mono- and dipalmitate were greater than 5000 mg/kg body weight (BW), along with detectable nephrotoxicity and testicular toxicity. The results of this study may promote future investigation of MCPD ester toxicology and detection.

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