Lot numbers can be found on the outside label of a product:
methyl 3-amino-2,6-difluorobenzoate
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CAS No. 84832-02-0
- Cat. No. CS-0009367
- Purity≥98%
- MDL No.MFCD13195461
*For research and further manufacturing use only, not for direct human use.
Structure of 84832-02-0
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General Information
- CAS No. 84832-02-0
- Cat. No. CS-0009367
- Purity ≥98%
- MDL No. MFCD13195461
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇F₂NO₂
- Molecular Weight 187.14
- Synonym(s) None
- SMILES O=C(OC)C1=C(F)C=CC(N)=C1F
Description
Methyl 3-amino-2,6-difluorobenzoate features a strategically positioned amino group flanked by two fluorine substituents, enabling selective reactivity in cross-coupling and derivatization. This electron-deficient aryl scaffold integrates readily into complex molecular architectures under mild conditions, offering enhanced stability and solubility in polar reaction media.
Application
Methyl 3-amino-2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the amino and ester groups. Its difluoro substitution pattern enhances metabolic stability and modulates electronic properties, while the methyl ester facilitates subsequent transformations such as hydrolysis or nucleophilic acyl substitution. Bench-stable and readily purified by crystallization, it functions effectively in coupling reactions, heterocycle formation, and late-stage derivatization within standard synthetic workflows.
Synthesis
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Route1
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In-stock
84832-01-9 - ~10%
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In-stock
84832-02-0
References
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ARRAY BIOPHARMA INC.; GENENTECH, INC.; AHRENDT, Kateri A.; BUCKMELTER, Alexandre J.; DE MEESE, Jason; GRINA, Jonas; HANSEN, Joshua D.; LAIRD, Ellen R.; LUNGHOFER, Paul; MORENO, David; NEWHOUSE, Brad; REN, Li; SEO, Jeongbeob; TIAN, Hongqi; WENGLOWSKY, Steven Mark; FENG, Bainian; GUNZNER, Janet; MALESKY, Kim; MATHIEU, Simon; RUDOLPH, Joachim; WEN, Zhaoyang; YOUNG, Wendy B. Patent: WO2009/111279 A1, 2009 ; Location in patent: Page/Page column 65-66 ; WO 2009/111279 A1
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Route2
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In-stock
385-00-2 - ~%
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In-stock
84832-02-0
References
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Chemical and Pharmaceutical Bulletin, , vol. 30, # 10 p. 3530 - 3543
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Route3
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In-stock
83141-10-0 - ~%
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In-stock
84832-02-0
References
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Chemical and Pharmaceutical Bulletin, , vol. 30, # 10 p. 3530 - 3543
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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 1.3336
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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