Lot numbers can be found on the outside label of a product:
Methyl 2,6-difluoro-3-nitrobenzoate
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CAS No. 84832-01-9
- Cat. No. CS-0038444
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 84832-01-9
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General Information
- CAS No. 84832-01-9
- Cat. No. CS-0038444
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅F₂NO₄
- Molecular Weight 217.13
- Synonym(s) 2,6-Difluoro-3-nitrobenzoic Acid Methyl Ester
- SMILES COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
Description
Methyl 2,6-difluoro-3-nitrobenzoate features a trifunctional aromatic core with strategically positioned fluorine atoms and a nitro group, enabling selective functionalization in synthetic sequences. This electron-deficient scaffold integrates readily into cross-coupling reactions and serves as a key intermediate for bioactive molecule synthesis under standard conditions.
Application
Methyl 2,6-difluoro-3-nitrobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of fluorinated heterocycles and substituted aromatic systems. The ortho-fluorine substituents facilitate directed metallation and subsequent functionalization, while the nitro group acts as a strong electron-withdrawing handle for nucleophilic substitution or reduction to an amine intermediate. Bench-stable and readily purified by column chromatography, it supports scalable transformations in multi-step syntheses.
Synthesis
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Route1
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In-stock
13671-00-6 - ~99%
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In-stock
84832-01-9
References
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CENTAURUS BIOPHARMA CO., LTD.; XIAO, Dengming; LI, Jijun; ZHU, Yan; HU, Yuandong; WANG, Huting; WANG, Zhe; WANG, Zanping; WEI, Yongheng; SUN, Yinghui; WU, Qiong; ZHANG, Hui; PENG, Yong; KONG, Fansheng; SUN, Ying; LUO, Hong; HAN, Yongxin Patent: WO2013/71865 A1, 2013 ; Location in patent: Page/Page column 26 ;
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Route2
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In-stock
83141-10-0 -
18107-18-1 - ~10%
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In-stock
84832-01-9
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 ; WO 2009/111279 A1
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Route3
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67-56-1
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In-stock
83141-10-0
- ~42%
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In-stock
84832-01-9
References
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Tani; Mushika; Yamaguchi Chemical and Pharmaceutical Bulletin, 1982 , 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 69.44
- LogP 1.6596
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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