Lot numbers can be found on the outside label of a product:
Methyl 2-amino-3-bromobenzoate
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CAS No. 104670-74-8
- Cat. No. CS-W018624
- Purity≥97%
- MDL No.MFCD11042862
*For research and further manufacturing use only, not for direct human use.
Structure of 104670-74-8
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General Information
- CAS No. 104670-74-8
- Cat. No. CS-W018624
- Purity ≥97%
- MDL No. MFCD11042862
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈BrNO₂
- Molecular Weight 230.06
- Synonym(s) 2-amino-3-bromo-Benzoic acid methyl ester
- SMILES NC1=C(C(=O)OC)C=CC=C1Br
Description
Methyl 2-amino-3-bromobenzoate features a brominated benzene ring bearing both amino and ester functionalities, enabling direct incorporation into diverse synthetic scaffolds. The para-positioned amino group enhances reactivity in electrophilic substitution, while the methyl ester provides a handle for selective derivatization under standard conditions. This compound serves as a key intermediate in medicinal chemistry and agrochemical synthesis.
Application
Methyl 2-amino-3-bromobenzoate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The ortho-bromo and amino groups enable palladium-catalyzed cross-coupling reactions and direct functionalization, while the methyl ester provides a handle for selective reduction or hydrolysis. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to substituted benzimidazoles, indoles, and other pharmacophores relevant to drug discovery.
Synthesis
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Route1
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67-56-1 -
In-stock
20776-51-6 - ~92%
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In-stock
104670-74-8
References
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WO2011/25859 A1, ; Page/Page column 59 ; WO 2011/025859 A1
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Route2
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In-stock
20776-51-6
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18107-18-1
- ~88%
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In-stock
104670-74-8
References
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US2008/153802 A1, ; Page/Page column 114 ;
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Route3
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In-stock
20780-74-9 -
124-41-4
- ~88%
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In-stock
104670-74-8
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 4 p. 1270 - 1274
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 52.32
- LogP 1.8179
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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