Cas no 887255-38-1 (4-(1-oxopropan-2-yl)benzoic acid)

4-(1-Oxopropan-2-yl)benzoic acid is a versatile intermediate in organic synthesis, characterized by its benzoic acid core functionalized with a propan-2-one substituent. This compound is particularly valuable in pharmaceutical and fine chemical applications due to its reactive carbonyl and carboxyl groups, which facilitate further derivatization. Its structural features make it suitable for use in the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and specialty polymers. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined reactivity profile allows for precise control in multi-step synthetic routes, making it a preferred choice for researchers requiring high-purity intermediates.
4-(1-oxopropan-2-yl)benzoic acid structure
887255-38-1 structure
Product Name:4-(1-oxopropan-2-yl)benzoic acid
CAS No:887255-38-1
MF:C10H10O3
MW:178.184603214264
CID:3390146
PubChem ID:11550086
Update Time:2025-08-05

4-(1-oxopropan-2-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • BENZOIC ACID, 4-(1-METHYL-2-OXOETHYL)-
    • 4-(1-oxopropan-2-yl)benzoic acid
    • 887255-38-1
    • EN300-1387173
    • SCHEMBL8833495
    • 4-(1-oxopropan-2-yl)benzoicAcid
    • Inchi: 1S/C10H10O3/c1-7(6-11)8-2-4-9(5-3-8)10(12)13/h2-7H,1H3,(H,12,13)
    • InChI Key: LXMYZIWCYCQHJD-UHFFFAOYSA-N
    • SMILES: O=CC(C)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 178.062994177Da
  • Monoisotopic Mass: 178.062994177Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 54.4?2

4-(1-oxopropan-2-yl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1387173-1.0g
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
1g
$0.0 2023-06-06
Enamine
EN300-1387173-50mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
50mg
$732.0 2023-09-30
Enamine
EN300-1387173-100mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
100mg
$767.0 2023-09-30
Enamine
EN300-1387173-250mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
250mg
$801.0 2023-09-30
Enamine
EN300-1387173-500mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
500mg
$836.0 2023-09-30
Enamine
EN300-1387173-1000mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
1000mg
$871.0 2023-09-30
Enamine
EN300-1387173-2500mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
2500mg
$1707.0 2023-09-30
Enamine
EN300-1387173-5000mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
5000mg
$2525.0 2023-09-30
Enamine
EN300-1387173-10000mg
4-(1-oxopropan-2-yl)benzoic acid
887255-38-1
10000mg
$3746.0 2023-09-30

Additional information on 4-(1-oxopropan-2-yl)benzoic acid

4-(1-Oxopropan-2-yl)benzoic Acid: A Comprehensive Overview

The compound with CAS No 887255-38-1, commonly referred to as 4-(1-oxopropan-2-yl)benzoic acid, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In this article, we will delve into the chemical characteristics, synthesis methods, and recent advancements in research related to 4-(1-oxopropan-2-yl)benzoic acid.

4-(1-Oxopropan-2-yl)benzoic acid is an aromatic carboxylic acid derivative with a substituent at the para position of the benzene ring. The substituent, 1-oxopropan-2-yl, introduces a ketone group and an ethyl chain, which significantly influences the compound's physical and chemical properties. This structure makes it a versatile building block for further chemical modifications and functionalization.

Recent studies have highlighted the importance of 4-(1-Oxopropan-2-yl)benzoic acid in drug discovery and development. Researchers have explored its potential as a precursor for bioactive molecules, particularly in the design of anti-inflammatory and anti-cancer agents. The presence of the ketone group allows for various reactions, such as nucleophilic additions and condensations, which are crucial in synthesizing complex drug molecules.

In terms of synthesis, 4-(1-Oxopropan-2-yl)benzoic acid can be prepared through several routes. One common method involves the Friedel-Crafts acylation of benzoic acid derivatives, followed by oxidation or reduction steps to introduce the desired substituents. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly syntheses, reducing production costs and minimizing waste.

The application of 4-(1-Oxopropan-2-yl)benzoic acid extends beyond pharmaceuticals. It has been utilized in materials science for the development of advanced polymers and coatings. The compound's ability to form stable bonds with other monomers makes it an ideal candidate for creating high-performance materials with tailored properties such as thermal stability and mechanical strength.

Moreover, 4-(1-Oxopropan-2-yl)benzoic acid has shown promise in the field of green chemistry. Its use as a chiral auxiliary in asymmetric synthesis has been explored, offering a sustainable approach to producing enantiomerically pure compounds. This aligns with global efforts to promote eco-friendly chemical processes and reduce reliance on hazardous reagents.

Recent research has also focused on the pharmacokinetic properties of 4-(1-Oxopropan-2-yl)benzoic acid. Studies indicate that its bioavailability can be optimized through structural modifications, enhancing its potential as a drug candidate. Additionally, computational modeling techniques have been employed to predict its interactions with biological targets, providing valuable insights into its therapeutic applications.

In conclusion, 4-(1-Oxopropan-2-yl)benzoic acid (CAS No 887255381) is a multifaceted compound with diverse applications across various scientific domains. Its unique structure and reactivity make it a valuable tool in organic synthesis, drug discovery, and materials science. As research continues to uncover new possibilities for this compound, its role in advancing technological and medical innovations is expected to grow significantly.

Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.