6002-45-5

Basic information

• Product Name: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-
• CAS NO: 6002-45-5
• Molecular Formula: C10H15OPS
• Molecular Weight: 214.268
• Mol File: 6002-45-5.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-(6002-45-5)
• EPA Substance Registry System: Phosphinothioic acid, (1,1-dimethylethyl)phenyl-(6002-45-5)

Safety Data

• Hazardous Substances Data: 6002-45-5(Hazardous Substances Data)

Upstream product

• 677-22-5 tert-butylmagnesium chloride 
• 644-97-3 Dichlorophenylphosphine 
• 6172-81-2 butyl phenylphosphinate 
• 51584-29-3 S-methyl tert-(butylphenylphosphino)thiolate 
• 4923-85-7 tert-butylphenylphosphinic acid chloride 
• 115603-43-5 tert-Butyl-phenyl-phosphinodithioic acid methyl ester 
• 98976-30-8 tert-Butylphenylphosphine oxide 

Downstream Products

• 55705-77-6 (-)-(S)-t-butylphenylphosphinothioic acid 
• 54100-47-9 (R)-(+)-tert-butylphenylphosphanylthioic acid 
• 115591-20-3 C₁₀H₁₅PSSe*C₆H₁₅N 
• 115591-15-6 R-(-)-tert-butylphenylphosphinothioic acid O-(trifluoromethyl)sulfonyl ester 
• 125708-58-9 (R)-tert-Butyl-phenyl-phosphinodithioic acid methyl ester 
• 115591-18-9 C₁₀H₁₄IPS 
• 115591-16-7 ((S)-tert-Butylphosphinothioyl)-benzene 
• 55705-77-6 (S)-(-)-tert-butyl(phenyl)phosphinothioic acid 
• 115591-17-8 (+)-(S)-tert-butylphenylphosphinochloridothionate 
• 4923-85-7 tert-butylphenylphosphinic acid chloride 
• 62116-96-5 C₁₁H₁₇O₃PS₂ 
• 62116-95-4 C₁₇H₂₁O₃PS₂ 
• 4923-86-8 t-butyl(phenyl)phosphinic acid 

Relevant articles and documents

Absolute configurations, predominant conformations, and tautomeric structures of enantiomeric tert-butylphenylphosphinothioic acid

Vibrational absorption and circular dichroism spectra of dextrorotatory, levorotatory, and racemic mixture of tert-butylphenylphosphinothioic acid have been measured in CCl4 solutions in the 2000-900 cm-1 region. The conformations for both tautomeric structures of (S)-tert-butylphenylphosphinothioic acid are investigated using the B3LYP functional with the 6-31G* basis set. For the most stable conformation, the absorption and VCD spectra are predicted ab initio using the B3LYP functional with 6-31G*, 6-311G(2d, 2p), 6-31+G*, and 6-311G(3df, 3pd) basis sets. A different functional, B3PW91, was also used with the 6-31G* basis set. The predicted spectra are compared to the experimental spectra. The comparison indicates that (-)-tert-butylphenylphosphinothioic acid is of the (S)-configuration and exists in only one tautomeric structure and one conformation in CCl4 solution.

Reductive cleavage of the halogen-phosphorus and sulfur-phosphorus bonds with alkali metals

The reduction of thiophosphorus acid chlorides with alkali metals (Na, K) in liq. NH3/THF solution, potassium anthracenide, and potassium napththalenide was investigated. It was found that these types of phosphorus compounds easily undergo reduction to 〉P-S- anions. It was also demonstrated that 〉P-O- and 〉P-S- anions as well very efficiently undergo sulfurization with elementary sulfur in liquid ammonia to yield 〉P(O)S- and 〉P(S)S- anions, respectively.

Enzymes in organic chemistry 7.[1] evaluation of homochiral t-butyl(phenyl)phosphinothioic acid for the determination of enantiomeric excesses and absolute configurations of α-substituted phosphonates

α-Hydroxy-, α-acetoxy-, α-chloroacetoxy-, α-azido-, α-phthalimidooxy-, and α-aminooxyphosphonates are investigated by 1H and 31P NMR spectroscopy in the presence of homochiral t-butyl(phenyl)phosphinothioic acid as chiral solvating a