774-65-2 | t-Butyl benzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$25.00	$17.00
5g	95%	in stock	$33.00	$23.00
25g	95%	in stock	$69.00	$48.00
100g	95%	in stock	$201.00	$141.00

Description

• Catalog Number: AB79385
• Chemical Name: t-Butyl benzoate
• CAS Number: 774-65-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.2277
• MDL Number: MFCD00048244
• SMILES: O=C(c1ccccc1)OC(C)(C)C
• NSC Number: 42534

Computed Properties

• Complexity: 173
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 2.8

Literature

• Molecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective.

  Dalton transactions (Cambridge, England : 2003) 20090814

• A route to 1,4-disubstituted aromatics and its application to the synthesis of the antibiotic culpin.

  The Journal of organic chemistry 20081017