Lot numbers can be found on the outside label of a product:
Methyl 4-amino-3,5-dichlorobenzoate
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CAS No. 41727-48-4
- Cat. No. CS-W022842
- Purity≥98%
- MDL No.MFCD08436086
*For research and further manufacturing use only, not for direct human use.
Structure of 41727-48-4
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General Information
- CAS No. 41727-48-4
- Cat. No. CS-W022842
- Purity ≥98%
- MDL No. MFCD08436086
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇Cl₂NO₂
- Molecular Weight 220.05
- Synonym(s) Benzoicacid, 4-amino-3,5-dichloro-, methyl ester
- SMILES O=C(OC)C1=CC(Cl)=C(N)C(Cl)=C1
Description
Methyl 4-amino-3,5-dichlorobenzoate features a dual functional group architecture: a bench-stable methyl ester paired with a primary amino handle. This combination enables direct incorporation into amide couplings and facilitates downstream derivatization in synthetic routes. The electron-deficient aromatic core enhances reactivity in electrophilic substitution processes.
Application
Methyl 4-amino-3,5-dichlorobenzoate serves as a versatile building block in medicinal chemistry, enabling direct incorporation of the 3,5-dichloroaniline motif into target molecules. The methyl ester group facilitates downstream transformations such as hydrolysis or coupling reactions, while the amino functionality offers reliable site-specific derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for multi-step synthesis of heterocyclic scaffolds and API intermediates.
Synthesis
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Route1
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In-stock
619-45-4 - ~%
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In-stock
41727-48-4
References
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THE WELLCOME FOUNDATION LIMITED; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: EP279698 A3, 1990 ;
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Route2
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7664-93-9 -
In-stock
56961-25-2 - ~%
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In-stock
41727-48-4
References
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THE WELLCOME FOUNDATION LIMITED Patent: EP459819 A2, 1991 ;
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Route3
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98557-39-2
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In-stock
41727-48-4
References
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van der Stelt; Nauta Recueil des Travaux Chimiques des Pays-Bas, 1959 , vol. 78, p. 534,540
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.32
- LogP 2.3622
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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