Methyl 2-(4-(4-Chlorobutanoyl)-2-Methyl Propanoate [Fexco-Chloro]
| Name of Product | Methyl 2-(4-(4-Chlorobutanoyl)-2-Methyl propanoate |
|---|---|
| CAS No | 154477-54-0 |
| Therapeutic use:- | Anti-histamine |
| API Name | Fexofenadine Hcl |
| Form:- | API Powder |
| Status | Commercial |
Product Overview
Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate, also catalogued as methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate, is supplied under CAS 154477-54-0 with the molecular formula C₁₅H₁₉ClO₃ and a molecular weight of 282.76.
The molecule carries three features that the downstream route uses in sequence.
A hindered α,α-dimethyl ester, which survives the chemistry ahead of it and is unmasked at the very end.
An aryl ketone, which is reduced to the secondary alcohol that appears in the finished drug.
And a primary alkyl chloride at the far end of a four-carbon chain, which is the point at which the piperidine fragment is attached.
That makes it a genuinely convergent intermediate rather than a simple building block: almost the entire carbon skeleton of one half of fexofenadine arrives in this single compound, correctly substituted and correctly protected.
Fexofenadine is a second-generation, non-sedating H1 antihistamine, prescribed and sold over the counter across most major markets for allergic rhinitis and urticaria.
It is a large, stable, globally distributed generic product, which makes demand for its intermediates considerably less concentrated than for a single-source or niche molecule.
The compound is manufactured by Friedel-Crafts acylation, and that route determines its impurity profile completely aluminium from the Lewis acid, positional isomers from the acylation itself, and residual acylating agent.
Those three parameters are the substance of the specification.
Grades and specifications are available on request. Every consignment carries a batch Certificate of Analysis and a GHS-format Safety Data Sheet.
Actiza has over 12 years of B2B pharmaceutical export experience, 500+ global clients and a supply footprint across 40+ countries, backed by WHO-GMP and ISO-certified group manufacturing infrastructure in Gujarat, India.
Key Highlights
Certificate of Analysis and GHS-format Safety Data Sheet with every batch
12+ years of export experience across 40+ countries
Application in Synthesis
Where It Comes From
The compound is made by Friedel-Crafts acylation, a route that sets its impurity profile.
Two things follow from that. The Friedel-Crafts step is an operation that a buyer may reasonably prefer not to run themselves, and the aluminium, the isomer distribution and the residual acylating agent are all set at this stage, which is why they belong on the certificate rather than in the customer’s incoming testing plan.
Where It Goes
| Step | Transformation | What It Builds |
|---|---|---|
| 1 | N-Alkylation of azacyclonol 4-(hydroxydiphenylmethyl)piperidine at the terminal chloride | Joins the two halves of the molecule, giving the ketone intermediate |
| 2 | Reduction of the aryl ketone | Installs the secondary alcohol present in the finished drug |
| 3 | Hydrolysis of the hindered methyl ester | Unmasks the 2-methylpropanoic acid, giving fexofenadine |
The α,α-dimethyl substitution on the ester is doing quiet work throughout.
It makes the ester sterically hindered enough to survive the alkylation and the reduction, so a single protecting-group strategy carries through three steps without an additional protection or deprotection operation.
Applications at a Glance
| Application | Role | Notes |
|---|---|---|
| Fexofenadine hydrochloride manufacture | Key starting material supplying the substituted aryl, the ketone and the alkylation handle | The dominant commercial application; fexofenadine is a large global generic antihistamine |
| ω-Chloro aryl ketone building block | Bifunctional electrophile for N-alkylation chemistry | Research and development-scale use |
Industry Segments Served
Fexofenadine API manufacturers.
CDMOs and contract synthesis organisations executing client-owned routes.
Impurity and reference standard suppliers.
Analytical and QC laboratories supporting ANDA and generic filings.
Technical Specifications
The parameters below represent our standard commercial specification.
Customer-specific specifications can be agreed at enquiry stage.
| Parameter | Specification |
|---|---|
| Chemical Name (IUPAC) | Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate |
| Common Synonyms | Methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate; Methyl 2-[4-(4-chlorobutyryl)phenyl]-2-methylpropanoate |
| CAS Number | 154477-54-0 |
| Molecular Formula | C₁₅H₁₉ClO₃ |
| Molecular Weight | 282.76 g/mol |
| MDL / EC Number | Available on request |
| Appearance | Available on request |
| Assay / Purity | Available on request |
| Identification | IR and ¹H-NMR conform to reference standard |
| Melting Range | Available on request |
| Stage of Synthesis | Key starting material |
| Downstream API | Fexofenadine hydrochloride |
| Residual Aluminium | Available on request |
| Positional Isomers | Available on request |
| Residual 4-Chlorobutyryl Chloride | Available on request |
| Free Acid (ester hydrolysis product) | Available on request |
| Other Related Substances | Individual and total limits as per in-house standard; reported on COA |
| Water Content (Karl Fischer) | Available on request |
| Residual Solvents | As per ICH Q3C |
| Elemental Impurities | Per ICH Q3D elemental impurity statement |
| Solubility | Soluble in dichloromethane, ethyl acetate, methanol and acetonitrile; practically insoluble in water |
| Storage Condition | Store cool and dry in tightly closed original packing, protected from moisture and light |
| Shelf Life | As stated on the batch COA, in unopened original packing under recommended storage |
| GHS Classification | Available on request |
| Transport Classification | Available on request |
Handling & Storage Guidance
This is a comparatively straightforward material to handle.
The points below are about preserving specification and about the reactive chloride, rather than about acute hazard.
Store cool and dry in tightly closed containers, protected from moisture and light.
Allow containers to reach room temperature before opening to prevent condensation.
Minimise open-container time and re-seal immediately after dispensing.
Note that the compound contains a reactive primary alkyl chloride avoid skin contact and handle with appropriate gloves, and treat it as an alkylating species for occupational hygiene purposes.
Keep away from strong bases and nucleophilic amines, which will react with the chloride.
Moisture and base can hydrolyse the ester and displace the chloride, so both are excluded in storage.
Standard eye protection and dust or splash control depending on the physical form supplied.
Consult the Safety Data Sheet supplied with the batch before handling.
Regulatory & Documentation Support
This is a starting material, so a DMF or CEP does not apply to it as a standalone item.
What buyers need is a well-characterised material with documentation supporting their manufacturing filing, their elemental impurity assessment and their mutagenic impurity assessment.
Control Status
Documentation Supplied
Certificate of Analysis- batch-specific.
Material Safety Data Sheet in GHS format, with destination-language versions on request.
Technical Data Package- manufacturing flow, analytical methods, specification rationale, impurity profile.
GMP Starting Material declaration under ICH Q7 principles, where the GMP grade is ordered.
ICH Q3D elemental impurity statement.
ICH Q3C residual solvent statement.
Support for the buyer’s ICH M7 mutagenic impurity assessment.
Certificate of Origin, Non-GMO declaration, BSE/TSE-free and allergen statements.
Characterisation data package for reference-standard grade supply.
Site audit access, subject to prior scheduling and confidentiality agreement.
Packaging, MOQ & Logistics
| Parameter | Details |
|---|---|
| Standard Packing | Sealed, moisture- and light-protected containers appropriate to the physical form supplied, in outer fibre or HDPE drums |
| Pack Sizes | Available on request |
| Minimum Order Quantity | Available on request |
| Production Lead Time | Available on request |
| Monthly Capacity | Available on request |
| Sampling | Samples available against request |
| Shipping Terms | FOB / CIF / CFR / EXW, as agreed |
| Mode of Transport | Sea and air freight availability available on request, subject to DG classification |
| Transit Protection | Moisture- and light-protected palletised loading; temperature management where destination and season require |
| Port of Loading | Available on request |
| Export Documentation | Standard commercial documentation |
Why Choose Us as Your Supplier
Batch-to-Batch Consistency
Every batch released against the same analytical protocol with retained samples held for the declared shelf-life.
Where a customer qualifies our material into a validated route, we notify any change that could affect the impurity profile before it reaches their site.
Export & Client Support
With 12+ years of B2B pharmaceutical export experience, 500+ global clients and shipments across Asia, Africa, Latin America, the CIS region and the Middle East, our commercial and documentation teams work across time zones.
Frequently Asked Questions
Is this the phenyl compound or the phenoxy one?
The phenyl compound, CAS 154477-54-0, in which the benzene ring is bonded directly to the quaternary carbon. It leads to fexofenadine. It is not the phenoxy series methyl or ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate which differs by an oxygen atom and belongs to the fibrate family. Always confirm by CAS number and structure rather than by name, since the two families read similarly.
Which API is this used to make?
Fexofenadine hydrochloride. The terminal chloride is displaced by azacyclonol to join the two halves of the molecule, the aryl ketone is reduced to the secondary alcohol, and the hindered methyl ester is hydrolysed at the end to reveal the 2-methylpropanoic acid.
Almost the entire carbon skeleton of one half of the drug arrives in this single intermediate.
What is the Minimum Order Quantity?
Minimum order quantities are available on request, stated separately for bulk manufacturing and for gram-scale reference quantities.
Request a Quote
Tell us the grade, quantity and destination, and our team will respond with pricing, lead time and the documentation set for Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS 154477-54-0).