Lot numbers can be found on the outside label of a product:
Methyl 5-amino-2-nitrobenzoate
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CAS No. 35998-96-0
- Cat. No. CS-W003840
- Purity≥95%
- MDL No.MFCD12913482
*For research and further manufacturing use only, not for direct human use.
Structure of 35998-96-0
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General Information
- CAS No. 35998-96-0
- Cat. No. CS-W003840
- Purity ≥95%
- MDL No. MFCD12913482
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈N₂O₄
- Molecular Weight 196.16
- Synonym(s) Methyl 5-aMino-2-nitro benzoate
- SMILES [O-][N+](=O)c1ccc(cc1C(=O)OC)N
Description
Methyl 5-amino-2-nitrobenzoate features a para-substituted aromatic core with complementary electron-donating (amino) and electron-withdrawing (nitro) groups, enabling precise tuning of reactivity. This bench-stable derivative integrates readily into coupling protocols, serving as a key intermediate for functionalized heterocycles and bioactive molecule synthesis under standard conditions.
Application
Methyl 5-amino-2-nitrobenzoate serves as a versatile synthetic intermediate in the construction of heterocyclic scaffolds and pharmaceutical building blocks. Its ortho-nitro and para-amino groups enable sequential functionalization, including selective reduction, diazotization, and coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis in medicinal chemistry and process development workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
13280-60-9 - ~43%
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In-stock
35998-96-0
References
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Jeon, Moon-Kook; Kim, Dong-Su; Hyun, Ju La; Ha, Deok-Chan; Gong, Young-Dae Tetrahedron Letters, 2005 , vol. 46, # 44 p. 7477 - 7481
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Route2
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99072-43-2
- ~93%
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In-stock
35998-96-0
References
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Yang, Xiaowu; Yuan, Lihua; Yamato, Kazuhiro; Brown, Amy L.; Feng, Wen; Furukawa, Mako; Zeng, Xiao Cheng; Gong, Bing Journal of the American Chemical Society, 2004 , vol. 126, # 10 p. 3148 - 3162
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Route3
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In-stock
618-95-1 - ~%
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In-stock
35998-96-0
References
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Yang, Xiaowu; Yuan, Lihua; Yamato, Kazuhiro; Brown, Amy L.; Feng, Wen; Furukawa, Mako; Zeng, Xiao Cheng; Gong, Bing Journal of the American Chemical Society, 2004 , vol. 126, # 10 p. 3148 - 3162
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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 95.46
- LogP 0.9636
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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