Diethyl [(4-chlorobenzoyl)amino]malonate

Basic Information

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CAS Number

81918-01-6

Molecular Formula

C14H16ClNO5

Molecular Weight

313.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)16-12(17)9-5-7-10(15)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)

InChIKey

KTKBMOLVXVIHQA-UHFFFAOYSA-N

LogP

1.564599999999999

Topological Polar Surface Area

81.70000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

362

Synonyms & References

English

Diethyl 2-(4-chlorobenzamido)malonate
AKOS009087907
A864482
Diethyl (4-chlorobenzamido)propanedioate
[(4-Chlorobenzoyl)-amino]-propanedioic acid diethyl ester
Diethyl 4-chlorobenzamidomalonate
FT-0664583
81918-01-6
MFCD09031363
Diethyl {[(4-chlorophenyl)carbonyl]amino}propanedioate
KTKBMOLVXVIHQA-UHFFFAOYSA-N
AC6869
CS-0455998
FT-0699025
SY033664
DTXSID90543274
diethyl 2-[(4-chlorobenzoyl)amino]propanedioate
Diethyl-2-[4-(chlorobenzoyl)amino]malonate
SCHEMBL4652134
Propanedioic acid, [(4-chlorobenzoyl)amino]-, diethyl ester
Diethyl 2-[4-(chlorobenzoyl)amino]Malonate
DIETHYL 2-{4-(CHLOROBENZOYL)AMINO}MALONATE
Propanedioic acid,2-[(4-chlorobenzoyl)amino]-, 1,3-diethyl ester
propan-2-yl N-methylcarbamate

MDL Number

MFCD09031363

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6)?

Diethyl [(4-chlorobenzoyl)amino]malonate is a white crystalline solid with a molecular weight of approximately 322.18 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles, and it can undergo various reactions such as esterification and amidation.

How is Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6) typically synthesized?

Diethyl [(4-chlorobenzoyl)amino]malonate is typically synthesized by the reaction of ethyl malonate with 4-chlorobenzoyl chloride in the presence of a tertiary amine like triethylamine as a base. The reaction is conducted at room temperature, and the product is isolated by recrystallization from an appropriate solvent.

What industries use Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6)?

Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6) is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and in the polymer industry for the production of speciality polymers. It also finds applications in the sensor and semiconductor industries as a precursor for functional materials.

What precautions should be taken when handling Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6)?

When handling Diethyl [(4-chlorobenzoyl)amino]malonate (CAS: 81918-01-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure to chlorine-containing vapor. Spills should be cleaned up with appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and storage guidelines.