Lot numbers can be found on the outside label of a product:
2,5-Dimethoxybenzonitrile
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CAS No. 5312-97-0
- Cat. No. CS-W007028
- Purity≥98%
- MDL No.MFCD00016375
*For research and further manufacturing use only, not for direct human use.
Structure of 5312-97-0
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General Information
- CAS No. 5312-97-0
- Cat. No. CS-W007028
- Purity ≥98%
- MDL No. MFCD00016375
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₂
- Molecular Weight 163.17
- Synonym(s) 3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
- SMILES COC1=CC(C#N)=C(OC)C=C1
Description
2,5-Dimethoxybenzonitrile features a benzene ring bearing two methoxy groups at the 2- and 5-positions and a nitrile group at the 1-position, delivering enhanced electron density and solubility in polar organic solvents. This configuration supports its use in pharmaceutical intermediates and agrochemical synthesis, where stability under standard conditions is essential.
Application
2,5-Dimethoxybenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. The ortho-dimethoxy pattern provides enhanced solubility and stability, while the nitrile group facilitates transformations such as hydrolysis to carboxylic acids, reduction to aldehydes or amines, and participation in Ugi or Passerini reactions. Its functional group tolerance and bench-stable nature make it well-suited for multi-step synthesis and process development in medicinal chemistry and agrochemical research.
Synthesis
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Route1
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68-12-2 -
150-78-7 - ~93%
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In-stock
5312-97-0
References
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Synlett, , # 10 p. 1562 - 1566
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Route2
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93-61-8
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150-78-7
- ~69%
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In-stock
5312-97-0
References
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Tetrahedron, , vol. 68, # 24 p. 4588 - 4595
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Route3
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67184-41-2
- ~87%
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In-stock
5312-97-0
References
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Synlett, , # 11 p. 2019 - 2021
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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 42.25
- LogP 1.57548
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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