- Catalyst composition for preparing 3-pentenoic ester from butadiene, United States, , ,
Cas no 66415-27-8 (Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)-)
66415-27-8 structure
Product Name:Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)-
CAS No:66415-27-8
MF:C19H30O2
MW:290.440306186676
CID:1710121
PubChem ID:623830
Update Time:2025-04-21
Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)-
- 2,4,6-Tri-tert-butylbenzoic acid
- 2,4,6-tritert-butylbenzoic acid
- CAVNOUJHOZKWHP-UHFFFAOYSA-N
- Benzoic acid, 2,4,6-tri-tert-butyl-
- DTXSID90347618
- 66415-27-8
- SCHEMBL6466602
- 2,4,6-Tris(t-butyl)benzoic acid
-
- Inchi： 1S/C19H30O2/c1-17(2,3)12-10-13(18(4,5)6)15(16(20)21)14(11-12)19(7,8)9/h10-11H,1-9H3,(H,20,21)
- InChI Key： CAVNOUJHOZKWHP-UHFFFAOYSA-N
- SMILES： OC(C1C(=CC(=CC=1C(C)(C)C)C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 290.224580195g/mol
- Monoisotopic Mass: 290.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 352
- 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: 6.5
- Topological Polar Surface Area: 37.3?2
Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)- 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
Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)- Raw materials
Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)- Preparation Products
Benzoic acid, 2,4,6-tris(1,1-dimethylethyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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