Lot numbers can be found on the outside label of a product:
Methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride
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CAS No. 90942-47-5
- Cat. No. CS-W006278
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 90942-47-5
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General Information
- CAS No. 90942-47-5
- Cat. No. CS-W006278
- Purity ≥96%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁Cl₂NO₂
- Molecular Weight 236.10
- Synonym(s) methyl 5-(aminomethyl)-2-chlorobenzoate.HCl
- SMILES Cl.COC(=O)C1=C(Cl)C=CC(CN)=C1
Description
Methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride features a benzene ring bearing a chloro substituent at the ortho position and a methoxycarbonyl group at the para position, with a primary amine tethered via a methylene linker. This bifunctional scaffold integrates a nucleophilic amine and an electrophilic ester, enabling direct coupling reactions or derivatization under mild conditions. The hydrochloride salt enhances solubility and stability in aqueous systems, simplifying handling in synthetic workflows.
Application
Methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride serves as a versatile building block for medicinal chemistry and peptide conjugation. The ortho-chloro substituent enhances electrophilic reactivity, while the protected amine and ester functionalities enable sequential transformations. Bench-stable and readily purified by crystallization, it facilitates efficient synthesis of bioactive heterocycles and targeted scaffolds via standard coupling and cyclization protocols.
Synthesis
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Route1
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1427158-17-5 - ~%
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In-stock
90942-47-5
References
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Glenmark Pharmaceuticals S.A.; GHARAT, Laxmikant Atmaram; Banerjee, Abhisek; Khairatkar-Joshi, Neelima; Kattige, Vidya Ganapati Patent: US2013/210844 A1, 2013 ; Location in patent: Paragraph 0298; 0299 ;
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Route2
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1294496-57-3 - ~%
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In-stock
90942-47-5
References
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GLENMARK PHARMACEUTICALS S.A.; GHARAT, Laxmikant Atmaram; BANERJEE, Abhisek; PAWAR, Mahesh Yashwant; KHAIRATKAR-JOSHI, Neelima; KATTIGE, Vidya Ganapati Patent: WO2013/38308 A1, 2013 ;
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Route3
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118-91-2 - ~%
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In-stock
90942-47-5
References
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GLENMARK PHARMACEUTICALS S.A.; GHARAT, Laxmikant Atmaram; BANERJEE, Abhisek; PAWAR, Mahesh Yashwant; KHAIRATKAR-JOSHI, Neelima; KATTIGE, Vidya Ganapati Patent: WO2013/38308 A1, 2013 ;
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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 2.0071
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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