- Preparation of aryl-substituted acetamide and pyrrolidin-2-one derivatives for the treatment of seizures, World Intellectual Property Organization, , ,
Cas no 93748-19-7 (2-(4-Fluorophenyl)-2-methylpropanoic acid)
2-(4-Fluorophenyl)-2-methylpropanoic acid is a fluorinated aromatic carboxylic acid characterized by its stable α,α-dimethyl substitution pattern. The presence of the 4-fluorophenyl group enhances its utility as a key intermediate in pharmaceutical synthesis, particularly in the development of nonsteroidal anti-inflammatory drugs (NSAIDs) and other bioactive compounds. Its structural rigidity and electron-withdrawing fluorine substituent contribute to improved metabolic stability and binding affinity in target molecules. The compound is typically synthesized via Friedel-Crafts acylation followed by hydrolysis, ensuring high purity and consistency. Its well-defined chemical properties make it valuable for research and industrial applications requiring precise fluorinated building blocks.
93748-19-7 structure
Product Name:2-(4-Fluorophenyl)-2-methylpropanoic acid
CAS No:93748-19-7
MF:C10H11FO2
MW:182.191546678543
CID:1057385
Update Time:2025-06-06
2-(4-Fluorophenyl)-2-methylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Fluorophenyl)-2-methylpropanoic acid
- 2-(4-Fluorophenyl)-2-methylpropionic acid
- 4-Fluoro-α,α-dimethylbenzeneacetic acid (ACI)
-
- Inchi： 1S/C10H11FO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)
- InChI Key： IOSAIRIBZLAABD-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C1C=CC(F)=CC=1)O
Computed Properties
- Exact Mass: 182.07400
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
Experimental Properties
- Density: 1.175±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 268.8±15.0 oC (760 Torr),
- Flash Point: 116.3±20.4 oC,
- Solubility: Very slightly soluble (0.55 g/l) (25 o C),
- PSA: 37.30000
- LogP: 2.18790
2-(4-Fluorophenyl)-2-methylpropanoic 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-(4-Fluorophenyl)-2-methylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F188415-5g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 96% | 5g |
￥3816.90 | 2023-09-02 | |
| Alichem | A019116880-5g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 95% | 5g |
$604.20 | 2023-08-31 | |
| Alichem | A019116880-10g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 95% | 10g |
$872.10 | 2023-08-31 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 054015-500mg |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 500mg |
1981.0CNY | 2021-08-04 | ||
| TRC | F621233-100mg |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 100mg |
$75.00 | 2023-05-18 | ||
| TRC | F621233-250mg |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 250mg |
$150.00 | 2023-05-18 | ||
| TRC | F621233-500mg |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 500mg |
$224.00 | 2023-05-18 | ||
| TRC | F621233-1g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 1g |
$316.00 | 2023-05-18 | ||
| Apollo Scientific | PC902103-1g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 98% | 1g |
￡151.00 | 2025-08-06 | |
| A2B Chem LLC | AC81650-1g |
2-(4-Fluorophenyl)-2-methylpropanoic acid |
93748-19-7 | 95% | 1g |
$134.00 | 2024-07-18 |
2-(4-Fluorophenyl)-2-methylpropanoic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 0 °C; 0 °C → rt; 24 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, cooled
1.3 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane , Water ; 24 h, 95 °C
1.4 Reagents: Hydrochloric acid Solvents: Water
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, cooled
1.3 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane , Water ; 24 h, 95 °C
1.4 Reagents: Hydrochloric acid Solvents: Water
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ; 16 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
Reference
- Triazolopyridine ethers as potent, orally active mGlu2 positive allosteric modulators for treating schizophreniaHiggins, Mendi A.; Marcin, Lawrence R.; Christopher Zusi, F.; Gentles, Robert; Ding, Min; et al, Bioorganic & Medicinal Chemistry, 2017, 25(2), 496-513
Production Method 3
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol , Water ; overnight, 60 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2
Reference
- Cobalt catalyzed carbonylation of unactivated C(sp3)-H bondsBarsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker, Chemical Science, 2017, 8(3), 2431-2435
Production Method 4
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethylene glycol , Water ; rt; 48 h, 100 °C; 100 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2, rt
Reference
- Palladium(II)-Catalyzed Directed Trifluoromethylthiolation of Unactivated C(sp3)-H BondsXiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier, Journal of Organic Chemistry, 2015, 80(8), 4204-4212
Production Method 5
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol , Water ; 2 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1 - 2
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1 - 2
Reference
- Method for preparing α-(4-substituted-phenyl)isobutyric acid, China, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ; 16 h, reflux
Reference
- Preparation of triazolopyridine ether derivatives useful in treatment of neurological and psychiatric disorders, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; overnight, 100 °C; cooled
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2 - 3
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2 - 3
Reference
- Preparation of aminosulfonyl-N-thiadiazolylbenzamide for use as IL-8 receptor antagonists, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ; 30 min, 0 °C
1.2 overnight, 0 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt
1.2 overnight, 0 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt
Reference
- Migrative Carbofluorination of Saturated Amides Enabled by Pd-Based Dyotropic RearrangementYang, Guoqiang; Wu, Hua; Gallarati, Simone; Corminboeuf, Clemence ; Wang, Qian; et al, Journal of the American Chemical Society, 2022, 144(31), 14047-14052
Production Method 9
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol , Water ; 4 h, reflux; reflux → rt
Reference
- Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, preparation and uses thereof, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
Reference
- Amide derivatives as kinase inhibitors and their preparation, pharmaceutical compositions and used in the treatment of diseases, World Intellectual Property Organization, , ,
Production Method 11
Reaction Conditions
Reference
- Substituent effect on the acetolysis of neophyl p-bromobenzenesulfonatesFujio, Mizue; Funatsu, Kimito; Shibata, Koji; Yoshinaga, Hironori; Maeda, Yasuyuki; et al, Memoirs of the Faculty of Science, 1984, 14(2), 319-32
2-(4-Fluorophenyl)-2-methylpropanoic acid Raw materials
- 2-(4-Fluorophenyl)-2-methylpropanenitrile
- ethyl 2-(4-fluorophenyl)-2-methylpropanoate
- 3-Bromo-2,2-dimethylpropyl 4-fluoro-α,α-dimethylbenzeneacetate
- 4-Fluorophenylacetic acid
- Methyl 2-(4-fluorophenyl)acetate
- Methyl 2-(4-fluorophenyl)-2-methylpropanoate
2-(4-Fluorophenyl)-2-methylpropanoic acid Preparation Products
2-(4-Fluorophenyl)-2-methylpropanoic acid Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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- 75908-73-5(2-(4-Fluorophenyl)propanoic acid)
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