Cas no 110319-84-1 (3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid)
3-Methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid is a branched-chain carboxylic acid derivative characterized by its unique phenyl-substituted butanoic acid structure. This compound exhibits potential utility in organic synthesis and pharmaceutical intermediates due to its sterically hindered aromatic moiety and carboxylic acid functionality. Its structural features, including the tert-butyl-like substitution pattern, may confer enhanced stability and selectivity in certain chemical reactions. The presence of both lipophilic (alkylphenyl) and hydrophilic (carboxyl) groups suggests possible applications in surfactant chemistry or as a building block for more complex molecules. Careful handling is advised due to the reactivity typical of carboxylic acids. Further research is recommended to fully elucidate its physicochemical properties and reactivity profile.
110319-84-1 structure
Product Name:3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid
CAS No:110319-84-1
MF:C15H22O2
MW:234.333984851837
CID:128777
PubChem ID:45117186
Update Time:2025-05-28
3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-(1-methylethyl)-4-(2-methylpropyl)-
- DF1902Y
- Benzeneacetic acid, -alpha--(1-methylethyl)-4-(2-methylpropyl)- (9CI)
- 3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid
- Benzeneacetic acid, α-(1-methylethyl)-4-(2-methylpropyl)-
-
- Inchi： 1S/C15H22O2/c1-10(2)9-12-5-7-13(8-6-12)14(11(3)4)15(16)17/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)
- InChI Key： RLUGDEGUWWOARD-UHFFFAOYSA-N
- SMILES： C1(C(C(C)C)C(O)=O)=CC=C(CC(C)C)C=C1
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 237
- 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: 4.3
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- PSA: 37.3
3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1868012-0.05g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 0.05g |
$647.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-0.1g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 0.1g |
$678.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-0.25g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 0.25g |
$708.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-0.5g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 0.5g |
$739.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-1.0g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 1g |
$1070.0 | 2023-05-26 | ||
| Enamine | EN300-1868012-2.5g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 2.5g |
$1509.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-5.0g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 5g |
$3105.0 | 2023-05-26 | ||
| Enamine | EN300-1868012-10.0g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 10g |
$4606.0 | 2023-05-26 | ||
| Enamine | EN300-1868012-1g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 1g |
$770.0 | 2023-09-18 | ||
| Enamine | EN300-1868012-5g |
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid |
110319-84-1 | 5g |
$2235.0 | 2023-09-18 |
3-methyl-2-4-(2-methylpropyl)phenylbutanoic acid Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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