Lot numbers can be found on the outside label of a product:
Methyl 2-fluoro-4-formylbenzoate
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CAS No. 85070-58-2
- Cat. No. CS-W006141
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 85070-58-2
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General Information
- CAS No. 85070-58-2
- Cat. No. CS-W006141
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇FO₃
- Molecular Weight 182.15
- Synonym(s) Benzoic acid, 2-fluoro-4-formyl-, methyl ester
- SMILES O=C(OC)C1=CC=C(C=O)C=C1F
Description
Methyl 2-fluoro-4-formylbenzoate features a fluorinated aromatic ring bearing both ester and formyl functionalities, enabling versatile coupling reactions. The para-formyl group facilitates efficient transformations in cross-coupling and condensation chemistry, while the ortho-fluorine enhances electrophilicity and directs regioselective functionalization. This bench-stable reagent integrates seamlessly into synthetic sequences requiring electron-deficient aryl motifs.
Application
Methyl 2-fluoro-4-formylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to fluorinated heterocycles and functionalized aromatic scaffolds. The ortho-fluoro and para-formyl groups provide complementary reactivity for Suzuki-Miyaura coupling, nucleophilic addition, and electrophilic substitution. Its bench-stable nature and compatibility with standard purification methods facilitate reliable use in multi-step syntheses.
Synthesis
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Route1
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In-stock
175596-01-7 - ~70%
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In-stock
85070-58-2
References
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Giranda, Vincent L.; Penning, Thomas D.; Gandhi, Virajkamar B.; Thomas, Sheela A.; Zhu, Gui-Dong; Gong, Jianchun Patent: US2007/259937 A1, 2007 ; Location in patent: Page/Page column 13 ;
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Route2
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In-stock
604000-97-7 -
74-88-4 - ~73%
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In-stock
85070-58-2
References
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INCYTE CORPORATION; RODGERS, James, D.; LI, Yun-Long; SHEPARD, Stacey; WANG, Haisheng Patent: WO2011/28685 A1, 2011 ; Location in patent: Page/Page column 75 ; WO 2011/028685 A1
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Route3
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In-stock
7697-23-6 - ~%
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In-stock
85070-58-2
References
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INCYTE CORPORATION; RODGERS, James, D.; LI, Yun-Long; SHEPARD, Stacey; WANG, Haisheng Patent: WO2011/28685 A1, 2011 ; WO 2011/028685 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 43.37
- LogP 1.4248
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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