Lot numbers can be found on the outside label of a product:
3,5-Bis(2-cyanoprop-2-yl)toluene
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CAS No. 120511-72-0
- Cat. No. CS-B0753
- Purity≥98%
- MDL No.MFCD08062446
*For research and further manufacturing use only, not for direct human use.
Structure of 120511-72-0
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General Information
- CAS No. 120511-72-0
- Cat. No. CS-B0753
- Purity ≥98%
- MDL No. MFCD08062446
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₈N₂
- Molecular Weight 226.32
- Synonym(s) α,α,α',α'-5-Pentamethyl-1,3-benzenediacetonitrile
- SMILES CC1=CC(C(C)(C#N)C)=CC(C(C)(C#N)C)=C1
Application
3,5-Bis(2-cyanoprop-2-yl)toluene serves as a sterically hindered, bench-stable building block for the synthesis of functionalized aromatic scaffolds. Its two bulky 2-cyanoprop-2-yl groups provide enhanced solubility and facilitate purification, while the nitrile functionalities enable downstream transformations including hydrolysis to carboxylic acids or reduction to primary amines. The molecule functions effectively in standard coupling protocols and supports the construction of complex heterocyclic systems through sequential functionalization.
Synthesis
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Route1
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In-stock
120511-74-2 -
74-88-4 - ~85%
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In-stock
120511-72-0
References
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Jackson, Toby; Woo, L. W. Lawrence; Trusselle, Melanie N.; Chander, Surinder K.; Purohit, Atul; Reed, Michael J.; Potter, Barry V. L. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 18 p. 2940 - 2952
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Route2
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74-88-4
- ~%
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In-stock
120511-72-0
References
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WO2007/105231 A1, ; Page/Page column 5 ;
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Route3
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In-stock
120511-74-2
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80-48-8
- ~85%
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In-stock
120511-72-0
References
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Mei, Yu-Hua; Luo, Yu; Lu, Wei Organic Preparations and Procedures International, 2008 , vol. 40, # 5 p. 487 - 489
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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 47.58
- LogP 3.59738
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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