N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide)

Basic Information

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CAS Number

41131-65-1

Molecular Formula

C15H17ClN2O4

Molecular Weight

324.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

192 - 197°C

Boiling Point

558.6 ºCat 760 mmHg

Flash Point

558.6 ºCat 760 mmHg

Refractive Index

1.596

SMILES

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CC1=CC(=C(C=C1NC(=O)CC(=O)C)Cl)NC(=O)CC(=O)C

InChI

InChI=1S/C15H17ClN2O4/c1-8-4-13(18-15(22)6-10(3)20)11(16)7-12(8)17-14(21)5-9(2)19/h4,7H,5-6H2,1-3H3,(H,17,21)(H,18,22)

InChIKey

BXICAEQXJKTNSD-UHFFFAOYSA-N

LogP

2.48362

Topological Polar Surface Area

92.34 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

467

Synonyms & References

English

SCHEMBL2912069
1,4-BIS(ACETOACETAMIDO)-5-CHLORO-2-METHYLBENZENE
N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis[3-oxobutyramide]
C15H17ClN2O4
2-Methyl-5-chloro-1,4-bis(acetoacetylamino)benzene
N-[5-chloro-2-methyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
DTXSID50194069
diacetoacet-2-chloro-5-methyl-1,4-phenylenediamide
1,4-BIS(ACETOACETYLAMINO)-2-CHLORO-5-METHYLBENZENE
UNII-4FW4NKO36N
1,4-Bis(acetoacetamido)-2-chloro-5-methylbenzene
EC 255-235-3
W-110946
ACETOACETAMIDE, N,N'-(2-CHLORO-5-METHYL-P-PHENYLENE)BIS-
Butanamide, N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxo-
AKOS015907974
N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide)
41131-65-1
EINECS 255-235-3
N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)
Q27259538
4FW4NKO36N
A825448
NS00006141
1,4-BISACETOACETYLAMINO-2-CHLORO-5-METHYLBENZEN
1,4-bisacetoacetylamino-2-chloro-5-methylbenzene
N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxobutyramide]
5-Chloro-2-methyl-1,4-bis[(acetoacetyl)amino]benzene

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) (CAS: 41131-65-1)?

N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) is a crystalline solid with a molecular weight of approximately 318.8 g/mol. It has limited water solubility but is soluble in organic solvents like methanol and acetonitrile. The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under normal storage conditions but should be protected from moisture and strong acids.

How is N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) (CAS: 41131-65-1) typically synthesized?

N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) can be synthesized via a multistep process involving chlorination of a phenol, followed by reaction with an amine and subsequent acylation. The reaction typically uses a strong base like sodium hydride and a coupling reagent such as EDC/HOBt. The yield is moderate, and the product is isolated by recrystallization. The exact conditions may vary based on desired purity and scale of synthesis.

What industries use N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) (CAS: 41131-65-1)?

N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) finds application in the pharmaceutical industry for the synthesis of certain compounds. It is also used in the preparation of materials for sensors and some types of polymers. Its specific role in these industries often involves its use as an intermediate or building block due to its functional groups and stability.

What precautions should be taken when handling N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) (CAS: 41131-65-1)?

When handling N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the area is well-ventilated to avoid inhalation of vapors. Store the compound in a cool, dry place away from moisture and strong acids. In case of spill, follow standard protocols for handling crystalline solids, and consult the Safety Data Sheet (SDS) for specific guidance.