Diethyl (4-chlorobenzamido)propanedioate
[CAS 81918-01-6]

Identification

• Name: Diethyl (4-chlorobenzamido)propanedioate
• Molecular Formula: C₁₄H₁₆ClNO₅
• Molecular Weight: 313.73
• Protein Sequence: X
• CAS Registry Number: 81918-01-6
• SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)Cl

Properties

• Density: 1.3±0.1 g/cm³ Calc.^*
• Boiling point: 458.6±45.0 °C 760 mmHg (Calc.)^*
• Flash point: 231.2±28.7 °C (Calc.)^*
• Index of refraction: 1.525 (Calc.)^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

chemBlink Chemical Story

Diethyl (4-chlorobenzamido)propanedioate (CAS 81918-01-6) is a substituted malonate derivative that combines a 4-chlorobenzamide group with the classic diethyl malonate framework. The central carbon lies between two ester carbonyl groups, making its hydrogen comparatively acidic and allowing controlled carbon-carbon bond formation after deprotonation. The benzamido substituent adds both nitrogen functionality and an aromatic 4-chlorobenzoyl fragment. Molecules of this type are useful in multistep synthesis because malonate chemistry can introduce substituents and later be transformed by hydrolysis, decarboxylation, or related operations. Public exact-CAS information is sparse and primarily identifies the substance as a research or pharmaceutical intermediate. No well-supported independent therapeutic use was found, so its role should be described as synthetic rather than pharmacological.

Chemical identity is more than a name. Closely related salts, isomers, hydrates, metabolites, intermediates, and final products can have different registry numbers and different physical or biological behavior. For a chemical database, keeping those forms separate prevents a property measured for one substance from being silently assigned to another.

Synthesis also depends on chemoselectivity. A useful intermediate contains functional groups that can be transformed in a predictable order, allowing chemists to build complexity while protecting parts of the molecule that must remain unchanged. This is why apparently modest building blocks can be important in medicinal, materials, or process chemistry even when they never appear in a finished product.

Analytical control is the other half of synthesis. Identity, purity, water or salt content, stereochemistry, and process-related impurities may all matter to reproducibility. Reference standards and well-characterized intermediates therefore have value beyond their immediate reaction step: they allow laboratories to confirm that a route is producing the intended chemical entity.

A responsible Chemical Story separates documented application from structural possibility. Familiar motifs can suggest hypotheses, but structural resemblance alone does not prove pharmacological activity, industrial adoption, or regulatory status. Where exact-CAS literature is sparse, the scientifically useful approach is to describe verified chemistry and stop before speculation becomes a claimed fact.

Chemical identity is more than a name. Closely related salts, isomers, hydrates, metabolites, intermediates, and final products can have different registry numbers and different physical or biological behavior. For a chemical database, keeping those forms separate prevents a property measured for one substance from being silently assigned to another.

Synthesis also depends on chemoselectivity. A useful intermediate contains functional groups that can be transformed in a predictable order, allowing chemists to build complexity while protecting parts of the molecule that must remain unchanged. This is why apparently modest building blocks can be important in medicinal, materials, or process chemistry even when they never appear in a finished product.

Analytical control is the other half of synthesis. Identity, purity, water or salt content, stereochemistry, and process-related impurities may all matter to reproducibility. Reference standards and well-characterized intermediates therefore have value beyond their immediate reaction step: they allow laboratories to confirm that a route is producing the intended chemical entity.

A responsible Chemical Story separates documented application from structural possibility. Familiar motifs can suggest hypotheses, but structural resemblance alone does not prove pharmacological activity, industrial adoption, or regulatory status. Where exact-CAS literature is sparse, the scientifically useful approach is to describe verified chemistry and stop before speculation becomes a claimed fact.

Chemical identity is more than a name. Closely related salts, isomers, hydrates, metabolites, intermediates, and final products can have different registry numbers and different physical or biological behavior. For a chemical database, keeping those forms separate prevents a property measured for one substance from being silently assigned to another.

References:
1. Specialist chemical catalogs. CAS 81918-01-6 identity.
2. General synthetic literature on substituted malonate chemistry and carbon-carbon bond formation.

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