Lot numbers can be found on the outside label of a product:
Methyl 4-methyl-4-nitropentanoate
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CAS No. 16507-02-1
- Cat. No. CS-0163759
- Purity≥97%
- MDL No.MFCD00047757
*For research and further manufacturing use only, not for direct human use.
Structure of 16507-02-1
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General Information
- CAS No. 16507-02-1
- Cat. No. CS-0163759
- Purity ≥97%
- MDL No. MFCD00047757
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₃NO₄
- Molecular Weight 175.18
- Synonym(s) Valeric acid, 4-methyl-4-nitro-, methyl ester
- SMILES CC([N+]([O-])=O)(C)CCC(OC)=O
Description
Methyl 4-methyl-4-nitropentanoate features a sterically hindered α-carbon flanked by a nitro group and a methyl substituent, enabling stable incorporation into complex synthetic sequences. This electron-deficient ester serves as a key building block for nitrogen-containing heterocycles and C–C bond formation under mild conditions.
Application
Methyl 4-methyl-4-nitropentanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aliphatic chains and heterocyclic scaffolds. Its α-alkylated nitro group facilitates controlled reduction and subsequent cyclization reactions, while the ester functionality supports selective transformations. The compound exhibits good bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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79-46-9 -
292638-85-8
- ~96%
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In-stock
16507-02-1
References
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Venkat Reddy, Chinta Reddy; Verkade, John G. Journal of Organic Chemistry, 2007 , vol. 72, # 8 p. 3093 - 3096
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Route2
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4749-28-4
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292638-85-8
- ~62%
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In-stock
16507-02-1
References
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Ho, Tse-Lok Synthetic Communications, 1982 , vol. 12, # 5 p. 339 - 342
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Route3
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79-46-9
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In-stock
3395-91-3 - ~%
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In-stock
16507-02-1
References
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Bulletin of the Chemical Society of Japan, , vol. 49, p. 3181 - 3184
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP 0.9949
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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