Lot numbers can be found on the outside label of a product:
1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid
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CAS No. 862574-88-7
- Cat. No. CS-M2012
- Purity≥97%
- MDL No.MFCD13190001
*For research and further manufacturing use only, not for direct human use.
![1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid|CS-M2012](https://file.chemscene.com/productPIC/CS-M2012.gif)
Structure of 862574-88-7
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General Information
- CAS No. 862574-88-7
- Cat. No. CS-M2012
- Purity ≥97%
- MDL No. MFCD13190001
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₈F₂O₄
- Molecular Weight 242.18
- Synonym(s) 1-(2,2-Difluorobenzo[D][1,3]dioxol-5-YL)cyclopropanecarboxylic acid
- SMILES OC(C1(CC1)C2=CC3=C(OC(F)(F)O3)C=C2)=O
Description
This cyclopropanecarboxylic acid features a 2,2-difluorobenzo[1,3]dioxole moiety that enhances metabolic stability and modulates electronic properties. The fused ring system imparts rigidity, while the carboxylic acid group enables direct coupling or derivatization. Ideal for medicinal chemistry applications requiring lipophilic, electron-deficient aromatic scaffolds.
Application
1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. The cyclopropane carboxylic acid moiety provides structural rigidity and metabolic stability, while the 2,2-difluorobenzo[1,3]dioxole group offers enhanced lipophilicity and favorable electronic properties. This compound facilitates efficient coupling reactions and demonstrates excellent bench stability, making it well-suited for use in API synthesis and lead optimization campaigns.
Synthesis
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Route1
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In-stock
![1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile|CS-M2544](https://file.chemscene.com/productPIC/CS-M2544.gif)
862574-87-6 - ~80%
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In-stock
862574-88-7
References
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VERTEX PHARMACEUTICALS INCORPORATED; ALARGOVA, Rossitza Gueorguieva; DUNBAR, Craig Antony; KADIYALA, Irina Nikolaevna Patent: WO2014/14841 A1, 2014 ; Location in patent: Paragraph 00314 - 00317 ;
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Route2
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1634-04-4 -
101-83-7
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In-stock
862574-88-7
References
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US2011/98311 A1, ;
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Route3
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In-stock
862574-87-6
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96042-30-7
- ~%
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In-stock
862574-88-7
References
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US2012/46330 A1, ; US 20120046330 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 55.76
- LogP 2.1243
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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