Diphenylphosphinamide - CAS 5994-87-6
Catalog:
BB030560
Product Name:
Diphenylphosphinamide
CAS:
5994-87-6
Synonyms:
P,P-diphenylphosphinic amide; Diphenyl phosphinic acid amide
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BB030560
100 g
$398
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IUPAC Name: [amino(phenyl)phosphoryl]benzene
Description: Diphenylphosphinamide acts as a reagent in the dimethylzinc/diphenyl phosphinoylimine approach to the asymmetric synthesis of calcimimetric agent NPS R-568.
Molecular Weight: 217.20
Molecular Formula: C12H12NOP
Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N
InChI: InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChI Key: RIGIWEGXTTUCIQ-UHFFFAOYSA-N
Boiling Point: 368.1 °C at 760 mmHg
Purity: 98%
Density: 1.2 g/cm3
Appearance: White to tan powder or crystals
MDL: MFCD00014766
LogP: 2.57450
GHS Hazard Statement: H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P264, P270, P301+P312, P330, and P501
Signal Word: Warning
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PMID Publication Date Title Journal
16323876 20051209 Synthesis of N-diphenylphosphinoylimines using the Kresze reaction The Journal of organic chemistry
15761841 20050506 Mechanism of anionic dearomatizing reactions of diphenylphosphinamide derivatives: a theoretical and experimental study Chemistry (Weinheim an der Bergstrasse, Germany)
Complexity: 220
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 217.065651004
Formal Charge: 0
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 217.065651004
Rotatable Bond Count: 2
Topological Polar Surface Area: 43.1 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.5
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