- Catalyst composition for preparing 3-pentenoic ester from butadiene, United States, , ,
Cas no 253584-86-0 (2,6-Di-tert-butylbenzoic acid)
2,6-Di-tert-butylbenzoic acid is a sterically hindered benzoic acid derivative characterized by the presence of two tert-butyl groups at the ortho positions relative to the carboxyl group. This structural feature enhances its stability against oxidation and thermal degradation, making it useful as an intermediate in organic synthesis and a stabilizer in polymer applications. The bulky substituents also influence its reactivity, often reducing unwanted side reactions in catalytic processes. Its high purity and consistent performance make it suitable for research and industrial applications where precise chemical properties are required. The compound is typically supplied as a white crystalline solid with well-defined melting characteristics.
2,6-Di-tert-butylbenzoic acid structure
Product Name:2,6-Di-tert-butylbenzoic acid
CAS No:253584-86-0
MF:C15H22O2
MW:234.333984851837
CID:2932118
PubChem ID:11959046
Update Time:2025-05-28
2,6-Di-tert-butylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Di-tert-butylbenzoic acid
- 2,6-bis(tert-butyl)benzoic acid
- SBB098287
-
- Inchi： 1S/C15H22O2/c1-14(2,3)10-8-7-9-11(15(4,5)6)12(10)13(16)17/h7-9H,1-6H3,(H,16,17)
- InChI Key： AGGNISLHEOXYAR-UHFFFAOYSA-N
- SMILES： OC(C1C(=CC=CC=1C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 234.161979940g/mol
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 258
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 37.3
2,6-Di-tert-butylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015015693-250mg |
2,6-Di-tert-butylbenzoic acid |
253584-86-0 | 97% | 250mg |
$494.40 | 2023-09-02 | |
| Alichem | A015015693-500mg |
2,6-Di-tert-butylbenzoic acid |
253584-86-0 | 97% | 500mg |
$863.90 | 2023-09-02 | |
| Alichem | A015015693-1g |
2,6-Di-tert-butylbenzoic acid |
253584-86-0 | 97% | 1g |
$1549.60 | 2023-09-02 |
2,6-Di-tert-butylbenzoic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: 1,1′-[1,2-Phenylenebis(methylene)]bis[1,1-diphenylphosphine] Catalysts: Palladium diacetate Solvents: Methanol ; rt → 150 °C
1.2 60 atm, 150 °C; 150 °C → rt
1.2 60 atm, 150 °C; 150 °C → rt
Reference
2,6-Di-tert-butylbenzoic acid Raw materials
2,6-Di-tert-butylbenzoic acid Preparation Products
2,6-Di-tert-butylbenzoic acid Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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