Cas no 633317-67-6 (2-methyl-1-phenylcyclobutane-1-carboxylic acid)

2-Methyl-1-phenylcyclobutane-1-carboxylic acid is a cyclobutane-derived carboxylic acid featuring a phenyl substituent at the 1-position and a methyl group at the 2-position. This compound is of interest in synthetic organic chemistry due to its strained cyclobutane ring, which can impart unique reactivity in ring-opening or functionalization reactions. The carboxylic acid moiety provides a handle for further derivatization, making it a versatile intermediate for pharmaceuticals, agrochemicals, or materials science applications. Its structural rigidity may also be exploited in the design of conformationally constrained analogs in medicinal chemistry. The product is typically supplied as a high-purity solid, suitable for research and development purposes.
2-methyl-1-phenylcyclobutane-1-carboxylic acid structure
633317-67-6 structure
Product Name:2-methyl-1-phenylcyclobutane-1-carboxylic acid
CAS No:633317-67-6
MF:C12H14O2
MW:190.238363742828
CID:1655551
PubChem ID:23294957
Update Time:2025-05-23

2-methyl-1-phenylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylic acid, 2-methyl-1-phenyl-
    • 2-methyl-1-phenylcyclobutane-1-carboxylic acid
    • EN300-1122335
    • DA-04167
    • 633317-67-6
    • 2-methyl-1-phenylCyclobutanecarboxylic acid
    • 2-methyl-1-phenylCyclobutanecarboxylicacid
    • SCHEMBL12020309
    • AKOS014775948
    • Inchi: 1S/C12H14O2/c1-9-7-8-12(9,11(13)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
    • InChI Key: QJJUETHUUBXFNN-UHFFFAOYSA-N
    • SMILES: OC(C1(C2C=CC=CC=2)CCC1C)=O

Computed Properties

  • Exact Mass: 190.09942
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

2-methyl-1-phenylcyclobutane-1-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1122335-0.05g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 95%
0.05g
$468.0 2023-10-27
Enamine
EN300-1122335-0.1g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 95%
0.1g
$490.0 2023-10-27
Enamine
EN300-1122335-0.25g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 95%
0.25g
$513.0 2023-10-27
Enamine
EN300-1122335-0.5g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 95%
0.5g
$535.0 2023-10-27
Enamine
EN300-1122335-1.0g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6
1g
$728.0 2023-06-09
Enamine
EN300-1122335-2.5g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 95%
2.5g
$1089.0 2023-10-27
Enamine
EN300-1122335-5.0g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6
5g
$2110.0 2023-06-09
Enamine
EN300-1122335-10.0g
2-methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6
10g
$3131.0 2023-06-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1595296-50mg
2-Methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 98%
50mg
¥9424.00 2024-05-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1595296-100mg
2-Methyl-1-phenylcyclobutane-1-carboxylic acid
633317-67-6 98%
100mg
¥9856.00 2024-05-06

Additional information on 2-methyl-1-phenylcyclobutane-1-carboxylic acid

2-Methyl-1-phenylcyclobutane-1-carboxylic Acid: A Comprehensive Overview

2-Methyl-1-phenylcyclobutane-1-carboxylic acid (CAS No. 633317-67-6) is a unique organic compound that has garnered attention in the fields of organic chemistry and materials science. This compound, with its distinctive cyclobutane ring structure, exhibits intriguing chemical properties and potential applications in various industries. Recent advancements in synthetic methodologies and its structural characterization have further highlighted its significance in modern chemical research.

The molecular structure of 2-methyl-1-phenylcyclobutane-1-carboxylic acid consists of a cyclobutane ring fused with a phenyl group and a carboxylic acid moiety. This arrangement imparts the compound with a combination of aromaticity and strained ring characteristics, making it an interesting subject for studying non-classical carbocation intermediates. The cyclobutane ring introduces significant angle strain, which can influence the compound's reactivity and stability under different conditions.

Recent studies have explored the synthesis of 2-methyl-1-phenylcyclobutane-1-carboxylic acid through various routes, including the use of transition metal catalysts and organocatalytic methods. These methods have not only improved the yield but also provided insights into the stereochemical outcomes of the synthesis. For instance, researchers have reported the use of palladium-catalyzed coupling reactions to construct the cyclobutane ring system efficiently.

The carboxylic acid group in this compound plays a crucial role in its functionality. It can participate in hydrogen bonding, making it a potential candidate for applications in pharmaceuticals and agrochemicals. Additionally, the phenyl group contributes to the compound's aromaticity, enhancing its stability and solubility properties. Recent computational studies have revealed that the electronic distribution within the molecule is significantly influenced by the interplay between the cyclobutane strain and the electron-withdrawing effects of the carboxylic acid group.

In terms of applications, 2-methyl-1-phenylcyclobutane-1-carboxylic acid has shown promise in drug design due to its ability to act as a bioisostere for other functional groups. Its unique structure allows for interactions with biological targets that might not be achievable with more conventional scaffolds. Furthermore, its potential as a building block in organic synthesis has been explored, particularly in constructing complex natural product analogs.

Recent research has also focused on understanding the environmental fate and toxicity of 2-methyl-1-phenylcyclobutane-1-carboxylic acid. Studies indicate that it undergoes biodegradation under specific conditions, which is an important consideration for its industrial applications. Additionally, its ecotoxicological profile has been evaluated to ensure compliance with regulatory standards.

The synthesis and characterization of 2-methyl-1-phenylcyclobutane-1-carboxylic acid have been made more efficient through advancements in analytical techniques such as NMR spectroscopy and X-ray crystallography. These tools provide detailed insights into the compound's stereochemistry and molecular packing, which are critical for understanding its physical properties.

In conclusion, 2-methyl-1-phenylcyclobutane-1-carboxylic acid (CAS No. 633317-67-) is a versatile compound with a rich structural chemistry and diverse potential applications. Ongoing research continues to uncover new aspects of its reactivity, stability, and utility across various scientific domains.

Recommended suppliers
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.