214400-59-6

Basic information

• Product Name: 1-{3-tert-Butyl-5-[3-(2,2-dimethyl-propyl)-thioureidomethyl]-benzyl}-3-(2,2-dimethyl-propyl)-thiourea
• CAS NO: 214400-59-6
• Molecular Weight: 450.756
• Mol File: 214400-59-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-{3-tert-Butyl-5-[3-(2,2-dimethyl-propyl)-thioureidomethyl]-benzyl}-3-(2,2-dimethyl-propyl)-thiourea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{3-tert-Butyl-5-[3-(2,2-dimethyl-propyl)-thioureidomethyl]-benzyl}-3-(2,2-dimethyl-propyl)-thiourea(214400-59-6)
• EPA Substance Registry System: 1-{3-tert-Butyl-5-[3-(2,2-dimethyl-propyl)-thioureidomethyl]-benzyl}-3-(2,2-dimethyl-propyl)-thiourea(214400-59-6)

Safety Data

• Hazardous Substances Data: 214400-59-6(Hazardous Substances Data)

Upstream product

• 214400-64-3 5-tert-butyl-1,3-bis(phthalimidomethyl)benzene 
• 64726-28-9 5-tert-butyl-1,3-bis(bromomethyl)benzene 
• 25343-65-1 1-isothiocyanato-2,2-dimethylpropane 
• 22157-90-0 1,3-bis(aminomethyl)-5-tert-butylbenzene 

Relevant articles and documents

Novel self-assembly of m-xylylene type dithioureas by head-to-tail hydrogen bonding

Dithiourea la self-assembles to form an orthogonal dimer structure both in solution and in the solid state, wherein the four thiourea groups establish a closed network of hydrogen bonds through a head-to-tail binding mode. This novel dimer structure was elucidated on the basis of 1H NMR spectra, vapor pressure osmometry, and X-ray crystal structure analysis. Furthermore, a series of m-xylylene type dithioureas were synthesized and their dimerization constants (Ka) in CDCl3 were determined by dilution experiments using 1H NMR spectroscopy. The magnitude of the Ka values are dependent on the steric bulk of the side chains, the acidity of the thiourea groups, and the weak intermolecular interaction between the benzene rings of the side chains and the m-xylylene spacer.