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6827-40-3

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6827-40-3 Usage

General Description

[(4-Chlorophenyl)methylene]malonic acid diethyl ester is a chemical compound with the molecular formula C14H15ClO4. It is a diethyl ester derivative of malonic acid, containing a 4-chlorophenyl group linked to malonic acid through a methylene bridge. [(4-Chlorophenyl)methylene]malonic acid diethyl ester is commonly used in organic synthesis as a reagent for the preparation of various organic compounds. It is also used as a building block in the synthesis of pharmaceutical drugs and agrochemicals. The presence of the 4-chlorophenyl group makes this compound potentially toxic and should be handled with caution.

Check Digit Verification of cas no

The CAS Registry Mumber 6827-40-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,8,2 and 7 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6827-40:
(6*6)+(5*8)+(4*2)+(3*7)+(2*4)+(1*0)=113
113 % 10 = 3
So 6827-40-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H15ClO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3

6827-40-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-[(4-chlorophenyl)methylidene]propanedioate

1.2 Other means of identification

Product number -
Other names p-choro diethyl benzylidenemalonate

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:6827-40-3 SDS

6827-40-3Relevant articles and documents

Ball-Milling-Enabled Reactivity of Manganese Metal**

Bolt, Robert R. A.,Browne, Duncan L.,Howard, Joseph L.,Khan, Adam,Magri, Giuseppina,Morrill, Louis C.,Nicholson, William I.,Richards, Emma,Seastram, Alex C.

supporting information, p. 23128 - 23133 (2021/09/20)

Efforts to generate organomanganese reagents under ball-milling conditions have led to the serendipitous discovery that manganese metal can mediate the reductive dimerization of arylidene malonates. The newly uncovered process has been optimized and its mechanism explored using CV measurements, radical trapping experiments, EPR spectroscopy, and solution control reactions. This unique reactivity can also be translated to solution whereupon pre-milling of the manganese is required.

Metal free biomimetic deaminative direct C-C coupling of unprotected primary amines with active methylene compounds

Ghosh, Santanu,Jana, Chandan K.

supporting information, p. 10153 - 10157 (2019/12/26)

An unprecedented direct C-C coupling reaction of unprotected primary amines with active methylene compounds is reported. The reaction involves a biomimetic deamination of amines which was achieved under conditions free of metallic reagents and strong oxidizing agents. A wide range of primary amines was reacted with different active methylene compounds to provide structurally diverse trisubstituted alkenes and dihydropyridines. A kinetic study revealed an activation barrier of 10.1 kcal mol-1 for the conversion of a key intermediate of the reaction.

Unnatural α-amino ethyl esters from diethyl malonate or ethyl β-bromo-α-hydroxyiminocarboxylate

Coutant, Eloi P.,Hervin, Vincent,Gagnot, Glwadys,Ford, Candice,Baatallah, Racha,Janin, Yves L.

supporting information, p. 2853 - 2860 (2018/11/26)

We have explored here the scope of the age-old diethyl malonate-based accesses to α-amino esters involving Knoevenagel condensations of diethyl malonate on aldehydes, reductions of the resulting alkylidenemalonates, the preparation of the corresponding α-hydroxyimino esters and their final reduction. This synthetic pathway turned out to be general although some unexpected limitations were encountered. The synthetic modifications of some of the intermediates - using Suzuki-Miyaura coupling or cycloadditions - before undertaking the oximation step - provided accesses to further α-amino esters. Moreover, other pathways to α-hydroxyimino esters were explored including an attempt to improve the cycloadditions between ethyl β-bromo-α-hydroxyiminocarboxylate and various alkylfuranes.

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