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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-

Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C Request for Quotation
Chemical Name: Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-
CAS Number: 15181-11-0
Product Number: AG003IPV(AGN-PC-0JLVBL)
Synonyms:
MDL No: MFCD00026300
Molecular Formula: C15H24
Molecular Weight: 204.3511

Identification/Properties

Properties
MP:
31-32 °C(lit.)
BP:
244°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.49(lit.)
Computed Properties
Molecular Weight:
204.357g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
2
Exact Mass:
204.188g/mol
Monoisotopic Mass:
204.188g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1,3-Di-tert-butyl-5-methylbenzene, also known as trimethyl tert-butylcalix[4]arene, is a versatile compound widely used in chemical synthesis, particularly in host-guest chemistry. This molecule is valued for its ability to form inclusion complexes with various guest molecules, making it a valuable tool in supramolecular chemistry. In chemical synthesis, 1,3-Di-tert-butyl-5-methylbenzene acts as a host molecule, selectively binding to specific guest molecules through non-covalent interactions such as hydrogen bonding and van der Waals forces. This property enables the compound to be used in the separation, purification, and controlled release of target molecules in organic reactions. Furthermore, 1,3-Di-tert-butyl-5-methylbenzene can also act as a phase-transfer catalyst, facilitating reactions between immiscible phases by selectively transporting reactants across the interface. Overall, the unique properties of 1,3-Di-tert-butyl-5-methylbenzene make it a valuable asset in the field of chemical synthesis, offering a wide range of applications in host-guest chemistry and beyond.