1060-92-0 | 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea

Packsize	Purity	Availability	Price	Discounted Price
100mg	93%	in stock	$9.00	$7.00
250mg	93%	in stock	$19.00	$14.00
1g	93%	in stock	$32.00	$23.00
5g	93%	in stock	$137.00	$96.00
25g	93%	in stock	$546.00	$382.00

Description

• Catalog Number: AB43128
• Chemical Name: 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
• CAS Number: 1060-92-0
• Molecular Formula: C17H8F12N2S
• Molecular Weight: 500.3047
• MDL Number: MFCD00829878
• SMILES: S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Computed Properties

• Complexity: 556
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 32
• Hydrogen Bond Acceptor Count: 13
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 6.6

Upstream Synthesis Route

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea, commonly known as $name$, is a versatile compound widely used in chemical synthesis. It serves as a potent catalyst in various organic reactions, particularly in the realm of asymmetric synthesis. Due to its exceptional chiral properties, $name$ plays a crucial role in creating enantiomerically pure compounds with high efficiency and selectivity.In organic transformations, $name$ acts as a key reagent for promoting reactions such as asymmetric Michael additions, aldol reactions, and Mannich reactions. Its unique structural features, coupled with the trifluoromethyl substituents, provide enhanced steric and electronic effects that influence the stereochemistry of the products formed. This makes $name$ an indispensable tool for chemists seeking to access specific chiral molecules in a controlled manner.Furthermore, the use of 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea in chemical synthesis extends to the preparation of pharmaceutical intermediates, agrochemicals, and advanced materials. Its ability to facilitate the formation of complex molecular architectures with high enantioselectivity makes it a valuable asset in the production of optically pure compounds with potential applications in various industries.Overall, the significance of $name$ in chemical synthesis lies in its ability to drive reactions towards desired stereoisomeric outcomes, enabling researchers to access diverse molecules with tailored properties and functions.

Literature

• The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas.

  Beilstein journal of organic chemistry 20070101