Cas no 612-35-1 (2-Benzylbenzoic acid)
2-Benzylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzylbenzoic acid
- POTA
- α-Phenyl-o-toluic acid
- alpha-Phenyl-o-toluic acid
- 2-BenzYl-Benzoic Acid
- 2-Carboxydiphenylmethane
- o-Benzylbenzoic acid
- 2-(PHENYLMETHYL)BENZOIC ACID
- XGQ9B53P0K
- benzyl-benzoic acid
- 2-Benzyl-benzoesaure
- o-benzyl-benzoic acid
- NCIOpen2_003900
- Oprea1_592465
- 2-(phenylmethyl) benzoic acid
- Benzoic acid,2-(phenylmethyl)-
- FESDHLLVLYZNFY-UHFFFAOYSA-N
- NSC7487
- 2-BENZYLBENZOICACID
-
- MDL: MFCD00002484
- Inchi: 1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
- InChI Key: FESDHLLVLYZNFY-UHFFFAOYSA-N
- SMILES: OC(C1C=CC=CC=1CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 212.08400
- Monoisotopic Mass: 212.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- 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
- Surface Charge: 16
- Tautomer Count: Not determined
- XLogP3: 2.3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: White crystals
- Density: 1.1035 (rough estimate)
- Melting Point: 112-115?°C (lit.)
- Boiling Point: 363.2℃ at 760 mmHg
- Flash Point: 168.6°C
- Refractive Index: 1.6000 (estimate)
- PSA: 37.30000
- LogP: 2.97560
- Solubility: 。
2-Benzylbenzoic acid Security Information
- Hazard Statement: Irritant
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
-
Hazardous Material Identification:
2-Benzylbenzoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2-Benzylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OO159-1g |
2-Benzylbenzoic acid |
612-35-1 | 98% | 1g |
¥57.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OO159-5g |
2-Benzylbenzoic acid |
612-35-1 | 98% | 5g |
¥187.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OO159-25g |
2-Benzylbenzoic acid |
612-35-1 | 98% | 25g |
1040CNY | 2021-05-07 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P136968-100g |
2-Benzylbenzoic acid |
612-35-1 | 97% | 100g |
¥1599.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P136968-10g |
2-Benzylbenzoic acid |
612-35-1 | 97% | 10g |
¥199.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P136968-25g |
2-Benzylbenzoic acid |
612-35-1 | 97% | 25g |
¥399.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P136968-5g |
2-Benzylbenzoic acid |
612-35-1 | 97% | 5g |
¥129.90 | 2023-09-01 | |
| Alichem | A019099047-100g |
2-Benzylbenzoic acid |
612-35-1 | 95% | 100g |
$469.20 | 2023-09-01 | |
| Chemenu | CM153465-100g |
2-Benzylbenzoic acid |
612-35-1 | 95% | 100g |
$430 | 2021-06-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R025658-10g |
2-Benzylbenzoic acid |
612-35-1 | 97% | 10g |
¥240 | 2024-05-22 |
2-Benzylbenzoic acid Suppliers
2-Benzylbenzoic acid Related Literature
-
1. 626. Hydrogen transfer. Part XIV. The quinone cyclodehydrogenation of acids and alcoholsA. M. Creighton,L. M. Jackman J. Chem. Soc. 1960 3138
-
2. Cyclisation reactions involving the oxidation of carboxylic acids with lead tetra-acetate. Part IV. The oxidation of o-benzoyl- and o-benzyl-benzoic acidsD. I. Davies,C. Waring J. Chem. Soc. C 1968 2337
-
3. Cyclisation reactions involving the oxidation of carboxylic acids with lead tetra-acetate. Part IV. The oxidation of o-benzoyl- and o-benzyl-benzoic acidsD. I. Davies,C. Waring J. Chem. Soc. C 1968 2337
-
4. Persulphate oxidations. Part VII. Oxidation of o-benzyl- and o-benzoyl-benzamidesA. R. Forrester,A. S. Ingram,R. H. Thomson J. Chem. Soc. Perkin Trans. 1 1972 2853
-
J. W. Cook,C. L. Hewett,C. A. Lawrence J. Chem. Soc. 1936 71
Additional information on 2-Benzylbenzoic acid
Recent Advances in the Study of 2-Benzylbenzoic Acid (CAS: 612-35-1): A Comprehensive Research Brief
2-Benzylbenzoic acid (CAS: 612-35-1) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This aromatic carboxylic acid has been the subject of numerous studies due to its potential applications in drug development, particularly as a building block for more complex molecules. Recent research has focused on its synthesis, biological activity, and potential therapeutic uses, making it a compound of growing importance in medicinal chemistry.
A 2023 study published in the Journal of Medicinal Chemistry explored the anti-inflammatory properties of 2-benzylbenzoic acid derivatives. The research team synthesized a series of analogs and evaluated their ability to inhibit cyclooxygenase-2 (COX-2), a key enzyme in the inflammatory process. The results demonstrated that certain derivatives showed selective COX-2 inhibition with IC50 values in the low micromolar range, suggesting potential for development as novel anti-inflammatory agents.
In the realm of antimicrobial research, a recent investigation (Bioorganic & Medicinal Chemistry Letters, 2024) examined the structure-activity relationship of 2-benzylbenzoic acid against multidrug-resistant bacterial strains. The study revealed that modifications at the benzyl position significantly affected antibacterial activity, with some derivatives showing promising activity against methicillin-resistant Staphylococcus aureus (MRSA). These findings open new avenues for the development of antibiotics targeting resistant pathogens.
The pharmacokinetic properties of 2-benzylbenzoic acid have also been a focus of recent research. A 2024 study in Drug Metabolism and Disposition employed advanced in vitro and in silico techniques to characterize the absorption, distribution, metabolism, and excretion (ADME) profile of the compound. The results indicated favorable metabolic stability and moderate plasma protein binding, suggesting good drug-like properties for potential pharmaceutical applications.
From a synthetic chemistry perspective, novel green chemistry approaches to 2-benzylbenzoic acid production have been developed. A 2023 publication in Green Chemistry reported a biocatalytic route using engineered enzymes that achieved high yields (85%) with excellent enantioselectivity (>99% ee). This environmentally friendly synthesis method represents a significant advancement over traditional chemical synthesis routes.
In cancer research, recent studies have explored the potential of 2-benzylbenzoic acid derivatives as modulators of epigenetic targets. A 2024 paper in Journal of Biological Chemistry demonstrated that specific analogs could inhibit histone deacetylases (HDACs) with selectivity for class I HDAC isoforms. These findings suggest potential applications in cancer therapy, particularly for hematological malignancies where HDAC inhibitors have shown clinical efficacy.
The future research directions for 2-benzylbenzoic acid appear promising, with ongoing investigations into its potential as a scaffold for drug discovery across multiple therapeutic areas. Current challenges include optimizing the pharmacokinetic properties of active derivatives and understanding the structure-activity relationships more comprehensively. As research continues, 2-benzylbenzoic acid and its derivatives may emerge as important tools in the development of novel therapeutic agents.
612-35-1 (2-Benzylbenzoic acid) Related Products
- 92035-96-6( )
- 6268-08-2( )
- 138487-94-2(3,3'-Methylenedi(benzene-1,2-dicarboxylic acid))
- 80716-36-5(2-methylbenzyl Benzoate)
- 28802-50-8(Benzoic acid, (phenylmethyl)-)
- 64926-51-8(3,4-Dimethyl-2-[(2,3,4-trimethylphenyl)methyl]benzoic acid)
- 28134-31-8(Benzoic acid, ethyl-)
- 66989-11-5(Benzoic acid, (phenylmethyl)-, sodium salt)
- 5873-56-3(Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid)
- 5398-16-3(2-(4-Methylbenzyl)benzoic acid)