Lot numbers can be found on the outside label of a product:
Methyl 3-amino-2-chlorobenzoate
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CAS No. 120100-15-4
- Cat. No. CS-0042780
- Purity≥95%
- MDL No.MFCD16036890
*For research and further manufacturing use only, not for direct human use.
Structure of 120100-15-4
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General Information
- CAS No. 120100-15-4
- Cat. No. CS-0042780
- Purity ≥95%
- MDL No. MFCD16036890
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈ClNO₂
- Molecular Weight 185.61
- Synonym(s) methyl 2-chloro-3-aminobenzoate
- SMILES O=C(OC)C1=CC=CC(N)=C1Cl
Description
Methyl 3-amino-2-chlorobenzoate features a strategically positioned amino group flanking a chlorinated aromatic ring, enabling selective functionalization in late-stage synthesis. This bench-stable derivative integrates readily into pharmaceutical intermediates and agrochemical scaffolds, offering enhanced solubility and reactivity under standard conditions.
Application
Methyl 3-amino-2-chlorobenzoate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the amino and ester groups. Its ortho-chloro substituent enhances regioselective coupling reactions and supports downstream heterocycle formation. The compound exhibits bench stability, facilitates straightforward purification, and tolerates a range of reaction conditions, making it well-suited for iterative synthesis workflows in API development.
Synthesis
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Route1
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In-stock
53553-14-3 - ~84%
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In-stock
120100-15-4
References
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GLAXOSMITHKLINE LLC; ADAMS, Jerry, Leroy; FAITG, Thomas; KASPAREC, Jiri; PENG, Xin; RALPH, Jeffrey; RHEAULT, Tara Renae; WATERSON, Alex Gregory Patent: WO2011/59610 A1, 2011 ; Location in patent: Page/Page column 97 ; WO 2011/059610 A1
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Route2
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67-56-1 -
In-stock
108679-71-6 - ~89%
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In-stock
120100-15-4
References
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NIPPON CHEMIPHAR CO., LTD. Patent: EP1452528 A1, 2004 ; Location in patent: Page 20 ;
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Route3
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3970-35-2 - ~%
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In-stock
120100-15-4
References
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GLAXOSMITHKLINE LLC; ADAMS, Jerry, Leroy; FAITG, Thomas; KASPAREC, Jiri; PENG, Xin; RALPH, Jeffrey; RHEAULT, Tara Renae; WATERSON, Alex Gregory Patent: WO2011/59610 A1, 2011 ; WO 2011/059610 A1
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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 1.7088
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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