Cas no 157870-16-1 (Benzonitrile,4-formyl-3,5-dimethyl-)

Benzonitrile,4-formyl-3,5-dimethyl- is a substituted aromatic nitrile compound featuring both formyl and methyl functional groups. Its molecular structure, characterized by a benzonitrile core with formyl and dimethyl substitutions at the 3,5-positions, makes it a versatile intermediate in organic synthesis. The presence of the formyl group allows for further functionalization through condensation or reduction reactions, while the electron-withdrawing nitrile group enhances reactivity in nucleophilic substitutions. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, where its well-defined reactivity profile and stability under various conditions offer advantages in precision synthesis.
Benzonitrile,4-formyl-3,5-dimethyl- structure
157870-16-1 structure
Product Name:Benzonitrile,4-formyl-3,5-dimethyl-
CAS No:157870-16-1
MF:C10H9NO
MW:159.184562444687
CID:107924
PubChem ID:21783691
Update Time:2025-06-26

Benzonitrile,4-formyl-3,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-formyl-3,5-dimethyl-
    • 3,5-dimethyl-4-formylbenzonitrile
    • Benzonitrile,4-formyl-3,5-dimethyl-(9ci)
    • 4-Cyano-2,6-dimethylbenzaldehyde
    • 4-formyl-3,5-dimethylbenzonitrile
    • Benzonitrile, 4-formyl-3,5-dimethyl- (9CI)
    • Z1216845865
    • Benzonitrile, 4-formyl-3,5-dimethyl-
    • SCHEMBL13073889
    • 157870-16-1
    • EN300-393348
    • G64056
    • DB-342430
    • Inchi: 1S/C10H9NO/c1-7-3-9(5-11)4-8(2)10(7)6-12/h3-4,6H,1-2H3
    • InChI Key: AMPDZSUBLMJJHS-UHFFFAOYSA-N
    • SMILES: O=CC1C(C)=CC(C#N)=CC=1C

Computed Properties

  • Exact Mass: 159.06847
  • Monoisotopic Mass: 159.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 40.86
  • LogP: 1.98758

Benzonitrile,4-formyl-3,5-dimethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-393348-0.05g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
0.05g
$238.0 2023-03-02
Enamine
EN300-393348-0.1g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
0.1g
$355.0 2023-03-02
Enamine
EN300-393348-0.25g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
0.25g
$509.0 2023-03-02
Enamine
EN300-393348-0.5g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
0.5g
$803.0 2023-03-02
Enamine
EN300-393348-1.0g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
1g
$0.0 2023-06-07
Enamine
EN300-393348-2.5g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
2.5g
$2014.0 2023-03-02
Enamine
EN300-393348-5.0g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
5.0g
$2981.0 2023-03-02
Enamine
EN300-393348-10.0g
4-formyl-3,5-dimethylbenzonitrile
157870-16-1 95%
10.0g
$4421.0 2023-03-02
1PlusChem
1P001Q8E-50mg
Benzonitrile, 4-formyl-3,5-dimethyl-
157870-16-1 95%
50mg
$340.00 2025-02-19
1PlusChem
1P001Q8E-100mg
Benzonitrile, 4-formyl-3,5-dimethyl-
157870-16-1 95%
100mg
$495.00 2025-02-19

Additional information on Benzonitrile,4-formyl-3,5-dimethyl-

Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1): A Comprehensive Overview

Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, plays a crucial role in various synthetic applications and has been extensively studied for its potential in drug development and material science. The presence of both a formyl group and dimethyl substituents on the benzene ring endows it with distinct reactivity, making it a valuable intermediate in the synthesis of more complex molecules.

The< strong>formyl group at the 4-position of the benzene ring in Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) is particularly noteworthy due to its high reactivity. This functional group readily participates in condensation reactions, forming Schiff bases and other heterocyclic compounds. Such reactions are fundamental in the synthesis of pharmaceuticals, where the formation of stable and bioactive intermediates is essential. The< strong>dimethyl substituents at the 3- and 5-positions further enhance the compound's stability and influence its electronic properties, making it a versatile building block for further chemical modifications.

In recent years, there has been a growing interest in exploring the applications of< strong>Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) in medicinal chemistry. Researchers have leveraged its unique structure to develop novel compounds with potential therapeutic effects. For instance, studies have shown that derivatives of this compound exhibit inhibitory activity against various enzymes and receptors involved in disease pathways. The< strong>formyl group's ability to undergo nucleophilic addition reactions has been particularly useful in designing molecules that can interact with biological targets.

The< strong>Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) compound has also found applications in material science. Its aromatic structure and functional groups make it a suitable candidate for the development of advanced materials such as liquid crystals and organic semiconductors. These materials are integral to modern electronics, including displays and solar cells. The< strong>dimethyl substituents contribute to the rigidity of the benzene ring, enhancing the compound's thermal stability and electronic properties.

One of the most compelling aspects of< strong>Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) is its role as a precursor in the synthesis of more complex organic molecules. The formyl group can be easily converted into other functional groups such as alcohols or carboxylic acids through simple chemical transformations. This flexibility makes it an invaluable intermediate in multi-step syntheses aimed at creating novel pharmaceuticals or specialty chemicals.

The synthesis of< strong>Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) typically involves a series of well-established organic reactions. For example, one common method involves the formylation of methylbenzene derivatives followed by methylation at specific positions using appropriate reagents. These reactions are often catalyzed by transition metals or acidic conditions to ensure high yields and purity.

In conclusion,< strong>Benzonitrile,4-formyl-3,5-dimethyl- (CAS No. 157870-16-1) is a multifaceted compound with significant potential in both pharmaceuticals and materials science. Its unique structural features make it an excellent candidate for further research and development. As our understanding of organic chemistry continues to advance, compounds like this one will undoubtedly play an increasingly important role in shaping the future of medicine and technology.

Recommended suppliers
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.