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154477-54-0 (Methyl-4-(4-chloro-1-oxobutyl)-alpha): Complete Chemical Profile and Industrial Applications

Introduction

CAS Number: 154477-54-0
Chemical Name: Methyl-4-(4-chloro-1-oxobutyl)-alpha
Chemical Class: Halogenated ketone/ester derivative (based on structural interpretation)

154477-54-0 is an advanced organic intermediate widely utilized in pharmaceutical research, fine chemical production, and specialty synthesis. The presence of a chloro-substituted ketone side chain combined with a methyl functional group makes this compound particularly valuable in multi-step synthetic pathways.

Due to its reactive carbonyl and halogen functionalities, this molecule serves as a strategic building block in complex organic transformations.

Chemical Structure & Functional Groups

While the full systematic IUPAC name may vary depending on structural clarification, key structural elements include:

  • Methyl substituent

  • 4-chloro-1-oxobutyl side chain

  • Carbonyl (ketone) functionality

  • Alkyl chloride group

Key Functional Groups

  • Ketone (C=O)

  • Alkyl chloride (–Cl)

  • Alkyl chain (butyl segment)

  • Ester or substituted backbone (depending on complete structure)

These features enable diverse synthetic modifications.

Physical & Chemical Properties

Property
Typical Description
Appearance
Colorless to pale yellow liquid or crystalline solid
Molecular Weight
Depends on full structural definition
Solubility
Soluble in organic solvents (DCM, THF, methanol, ethyl acetate)
Water Solubility
Limited
Stability
Stable under dry, controlled conditions
Storage
Cool, dry place, away from moisture

Chemical Characteristics

  • Moderately reactive due to carbonyl group

  • Halogen functionality enables substitution reactions

  • Suitable for further chain elongation reactions

Synthesis Overview

Typical Synthetic Pathways

154477-54-0 may be synthesized via:

  1. Controlled alkylation reactions

  2. Introduction of chloro-ketone functionality

  3. Esterification or methyl substitution steps

Industrial synthesis typically involves:

  • Halogenation of precursor ketones

  • Controlled oxidation reactions

  • Catalytic transformations

Purification Methods

  • Vacuum distillation

  • Recrystallization

  • Column chromatography

  • HPLC verification

Reactivity & Chemical Behavior

Carbonyl Reactivity

The ketone group allows:

  • Reduction to alcohols

  • Formation of oximes

  • Grignard reactions

  • Enolate chemistry

Halogen Reactivity

The chloro group can undergo:

  • Nucleophilic substitution

  • Elimination reactions

  • Cross-coupling (under specific conditions)

Multi-Step Synthesis Utility

Due to dual reactivity, this compound is suitable for:

  • Intermediate coupling reactions

  • API precursor synthesis

  • Specialty material intermediates

Industrial Applications

Pharmaceutical Industry

One of the primary uses of 154477-54-0 is as:

  • Intermediate in drug synthesis

  • Precursor in anti-inflammatory agents

  • Structural fragment in CNS-targeting molecules

  • Building block in active pharmaceutical ingredient (API) development

Its carbonyl and halogen groups make it adaptable for medicinal chemistry programs.

Fine Chemical Manufacturing

Used in:

  • Custom chemical synthesis

  • Research-grade intermediates

  • Specialty organic compounds

Fine chemical producers value it for:

  • Scalability

  • Reaction flexibility

  • Controlled reactivity

Agrochemical Applications

Potential use in:

  • Herbicide intermediates

  • Pesticide research compounds

  • Functionalized organic acid derivatives

Research & Development

Widely used in:

  • Organic synthesis laboratories

  • Process development research

  • Structure-activity relationship (SAR) studies

  • Method development for halogenated compounds

Safety & Handling Guidelines

Hazard Considerations

  • May cause skin and eye irritation

  • Avoid inhalation of vapors or dust

  • Handle under well-ventilated conditions

Personal Protective Equipment (PPE)

  • Safety gloves

  • Protective goggles

  • Lab coat

  • Fume hood handling

Storage Conditions

  • Store in tightly sealed containers

  • Protect from moisture and direct sunlight

  • Recommended temperature: 2–8°C or controlled room temperature

Quality Specifications

Typical industrial standards include:

Parameter
Specification
Purity
≥ 98% (HPLC)
Moisture Content
≤ 0.5%
Appearance
Clear liquid or crystalline solid
Residual Solvents
Within ICH limits

Analytical techniques:

  • HPLC

  • GC-MS

  • NMR spectroscopy

  • IR spectroscopy

Regulatory & Compliance

  • Intended for industrial and research use only

  • Not for direct pharmaceutical consumption without further processing

  • Must comply with regional chemical safety and transport regulations

  • COA and MSDS documentation recommended

Market Outlook

Demand for 154477-54-0 is driven by:

  • Expanding pharmaceutical R&D

  • Increased focus on halogenated intermediates

  • Growth in custom synthesis markets

  • Rising demand for advanced organic building blocks

Emerging markets in Asia-Pacific and Europe are key growth drivers.

Advantages in Industrial Chemistry

✔ Dual functional groups enhance synthetic versatility
✔ Suitable for multi-step synthesis
✔ Scalable production capability
✔ Compatible with various catalytic systems
✔ Stable under controlled storage conditions

Conclusion

154477-54-0 (Methyl-4-(4-chloro-1-oxobutyl)-alpha) is a versatile halogenated organic intermediate with broad applications across pharmaceutical, agrochemical, and specialty chemical industries. Its balanced reactivity, structural adaptability, and compatibility with advanced synthetic methodologies make it an essential compound in modern industrial chemistry.

As global demand for high-performance intermediates continues to grow, 154477-54-0 remains a strategically valuable building block for innovative chemical development.

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