- Pincer thioamide and pincer thioimide palladium complexes catalyze highly efficient Negishi coupling of primary and secondary alkyl zinc reagents at room temperatureWang, Haibo; Liu, Jing; Deng, Yi; Min, Tianyin; Yu, Ganxiang; et al, Chemistry - A European Journal, 2009, 15(6), 1499-1507
Cas no 97023-48-8 (2-Cyclohexylbenzoic acid)
2-Cyclohexylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexylbenzoic acid
- 2-Cyclohexyl-benzoesaeure
- 2-cyclohexyl-benzoic acid
- o-Cyclohexylbenzoesaeure
- 2-Cyclohexylbenzoic acid (ACI)
- Benzoic acid, o-cyclohexyl- (7CI)
- XDA02348
- SCHEMBL50486
- DA-26332
- CS-0318954
- AE-641/01665050
- MFCD00452653
- 2-CYCLOHEXYLBENZOICACID
- Benzoic acid, 2-cyclohexyl-
- 2-cyclohexyl benzoic acid
- 2-Cyclohexylbenzoic acid, AldrichCPR
- AS-59997
- AKOS015840906
- G29365
- DTXSID40427257
- cyclohexylbenzoic acid
- ZKTFZNPTAJIXMK-UHFFFAOYSA-N
- 97023-48-8
- EN300-378232
-
- MDL: MFCD00452653
- Inchi: 1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
- InChI Key: ZKTFZNPTAJIXMK-UHFFFAOYSA-N
- SMILES: O=C(C1C(C2CCCCC2)=CC=CC=1)O
- BRN: 2452158
Computed Properties
- Exact Mass: 204.11500
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: White powder
- Density: 1.1±0.1 g/cm3
- Melting Point: 103-105°C
- Boiling Point: 332.4±21.0 °C at 760 mmHg
- Flash Point: 156.8±16.7 °C
- Refractive Index: 1.557
- PSA: 37.30000
- LogP: 3.43250
- Solubility: Insoluble in water
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
2-Cyclohexylbenzoic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazard Category Code: 36/37/38-41
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Cyclohexylbenzoic 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-Cyclohexylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 224110-5g |
2-Cyclohexylbenzoic acid, 95% min |
97023-48-8 | 95% | 5g |
$738.00 | 2023-09-10 | |
| Matrix Scientific | 224110-10g |
2-Cyclohexylbenzoic acid, 95% min |
97023-48-8 | 95% | 10g |
$1326.00 | 2023-09-10 | |
| TRC | C995564-250mg |
2-Cyclohexylbenzoic Acid |
97023-48-8 | 250mg |
$87.00 | 2023-05-18 | ||
| TRC | C995564-500mg |
2-Cyclohexylbenzoic Acid |
97023-48-8 | 500mg |
$144.00 | 2023-05-18 | ||
| Alichem | A019099310-5g |
2-Cyclohexylbenzoic acid |
97023-48-8 | 97% | 5g |
$343.00 | 2023-08-31 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | L18060-1g |
2-Cyclohexylbenzoic acid, 97% |
97023-48-8 | 97% | 1g |
¥2236.00 | 2023-03-15 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | L18060-5g |
2-Cyclohexylbenzoic acid, 97% |
97023-48-8 | 97% | 5g |
¥9507.00 | 2023-03-15 | |
| eNovation Chemicals LLC | D767884-1g |
2-Cyclohexylbenzoic acid |
97023-48-8 | 97% | 1g |
$280 | 2024-06-07 | |
| Enamine | EN300-378232-0.1g |
2-cyclohexylbenzoic acid |
97023-48-8 | 95% | 0.1g |
$32.0 | 2023-06-04 | |
| Enamine | EN300-378232-0.25g |
2-cyclohexylbenzoic acid |
97023-48-8 | 95% | 0.25g |
$42.0 | 2023-06-04 |
2-Cyclohexylbenzoic acid Production Method
Production Method 1
1.2 Catalysts: Palladium(1+), chloro(N2,N6-dibutyl-2,6-pyridinedicarbothioamide-κN1,κS2,κS6)-, … ; 40 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; rt
Production Method 2
- Synthesis of cyclohexylbenzoic acids by liquid-phase catalytic oxidation of cyclohexyltoluenesKoshel, S. G.; Obukhova, T. A.; Krylova, N. N.; Smirnova, G. B.; Mironov, G. S., Neftekhimiya, 1989, 29(2), 257-61
Production Method 3
- Preparation of cyclic amine derivatives as CCR3 antagonists, World Intellectual Property Organization, , ,
Production Method 4
- Ruthenium-Catalyzed Para-Selective Oxidative Cross-Coupling of Arenes and CycloalkanesGuo, Xiangyu; Li, Chao-Jun, Organic Letters, 2011, 13(19), 4977-4979
Production Method 5
- Liquid-phase catalytic oxidation of methyl derivatives of biphenylKoshel', G. N.; Koshel', S. G.; Postnova, M. V.; Lebedeva, N. V.; Kuznetsova, E. A.; et al, Kinetics and Catalysis, 2004, 45(6), 821-825
Production Method 6
1.2 Reagents: Potassium hydroxide Solvents: Methanol ; 6 h, 80 °C
- Strategic Approach to the Metamorphosis of γ-Lactones to NH γ-Lactams via Reductive Cleavage and C-H AmidationJung, Hoi-Yun ; Chang, Sukbok ; Hong, Sungwoo, Organic Letters, 2019, 21(17), 7099-7103
Production Method 7
1.2 Catalysts: Palladium(1+), chloro(N2,N6-dibutyl-2,6-pyridinedicarbothioamide-κN1,κS2,κS6)-, … ; 2 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water
- Process for preparation of 2,6-pyridinedicarbothioamides metal complexes as cross coupling reaction catalysts, China, , ,
Production Method 8
- Cobalt-catalyzed C(sp3)-H/C(sp2)-H oxidative coupling between alkanes and benzamidesLi, Shuangjie; Wang, Bao; Dong, Guangyu; Li, Chunpu; Liu, Hong, RSC Advances, 2018, 8(24), 13454-13458
Production Method 9
1.2 1 h, -78 °C; 20 min, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water
- Peroxydisulfate-Mediated Transition-Metal-Free Oxidative C(sp3)-H Bond LactonizationNozawa-Kumada, Kanako; Kurosu, Satoshi; Shigeno, Masanori ; Kondo, Yoshinori, Asian Journal of Organic Chemistry, 2019, 8(7), 1080-1083
Production Method 10
- Synthesis of biphenylpolycarboxylic acids. II. Oxidation of cyclohexyltoluenes and methylbiphenyls to carboxylic acidsKoshel, S. G.; Shutova, I. V.; Shapiro, Yu. E.; Obukhova, T. A.; Rusakov, A. I.; et al, Zhurnal Organicheskoi Khimii, 1992, 28(2), 363-6
2-Cyclohexylbenzoic acid Raw materials
- o-Iodobenzoic acid
- Benzoic acid
- Spiro[2-benzofuran-3,1'-cyclohexane]-1-one
- Cyclohexylmagnesium chloride
- 1-Cyclohexyl-2-methylbenzene
- 1-Bromo-2-cyclohexylbenzene
- 2-Cyclohexyl-N-[1-methyl-1-(2-pyridinyl)ethyl]benzamide
- Zinc, chlorocyclohexyl-
2-Cyclohexylbenzoic acid Preparation Products
2-Cyclohexylbenzoic acid Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 2-Cyclohexylbenzoic acid
Comprehensive Overview of 2-Cyclohexylbenzoic Acid (CAS No. 97023-48-8): Properties, Applications, and Industry Insights
2-Cyclohexylbenzoic acid (CAS No. 97023-48-8) is a versatile organic compound with a molecular structure combining a benzoic acid moiety and a cyclohexyl group. This unique configuration grants it distinct chemical properties, making it valuable in pharmaceuticals, agrochemicals, and specialty chemical synthesis. As demand for high-purity intermediates grows, this compound has garnered attention for its role in drug development and material science.
The compound’s IUPAC name, 2-cyclohexylbenzoic acid, reflects its structural specificity, while its CAS registry number (97023-48-8) ensures precise identification in global databases. Researchers often search for "2-Cyclohexylbenzoic acid synthesis" or "97023-48-8 supplier," highlighting its commercial and academic relevance. Its melting point (typically 120–125°C) and solubility in organic solvents like ethanol and DMSO are critical for laboratory and industrial applications.
In pharmaceuticals, 2-Cyclohexylbenzoic acid serves as a key intermediate for anti-inflammatory and antimicrobial agents. Recent studies explore its derivatives for targeted drug delivery, aligning with trends in personalized medicine. The agrochemical sector utilizes it in crop protection formulations, addressing the global push for sustainable agriculture. These applications respond to frequent queries like "benzoic acid derivatives in medicine" or "eco-friendly agrochemicals."
From a synthetic chemistry perspective, the compound’s cyclohexyl group enhances stability, reducing degradation in harsh environments—a feature often searched as "sterically hindered benzoic acids." Advanced purification techniques, such as recrystallization or chromatography, ensure the high purity required for sensitive reactions. This aligns with industry demands for "ultra-pure chemical intermediates," a trending topic in quality control forums.
Environmental and regulatory considerations are paramount. 2-Cyclohexylbenzoic acid is not classified as hazardous under major safety frameworks (e.g., GHS), but proper handling protocols are recommended. Searches for "benzoic acid biodegradability" or "green chemistry alternatives" reflect growing eco-consciousness. Manufacturers emphasize waste minimization and energy-efficient synthesis to meet these expectations.
The market for 2-Cyclohexylbenzoic acid is expanding, driven by R&D investments in bioactive compounds and functional materials. Analysts note rising queries like "CAS 97023-48-8 price trends" and "bulk suppliers in Asia," indicating its global trade significance. Innovations in catalytic processes aim to reduce production costs, a hotspot in chemical engineering research.
In summary, 2-Cyclohexylbenzoic acid (CAS No. 97023-48-8) bridges multiple industries with its adaptable chemistry. Its relevance to drug discovery, sustainable agriculture, and advanced materials ensures continued interest. As synthetic methodologies evolve, this compound will likely play a pivotal role in addressing global health and environmental challenges.
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