BOP Reagent(BOP) - ≥98% , CAS No.56602-33-6

CAS: 56602-33-6 Cat. No.: B106161 Molecular Weight: 442.29 Beilstein Registry Number: 4287025 EC Number: 260-279-1 PubChem CID: 151348

GRADE & PURITY ≥98%

Synonyms

(benzotriazol-1yloxy)-tris(dimethylamino)-phosphoniumhexafluorophosphate | (benzotriazol-1-yloxy)tris(dimethylamino) phosphonium hexafluorophosphate | benzotriazol-1-yloxytris(dimethylamino)phosphoniumhexafluorophosphate | benzotriazol-1-yl-oxy-tris(dimet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Usually used as reagent for Peptide coupling,Synthesis of esters,Esterification of carboxylic acids,Plasmid CAN-encapsulating liposomes,Synthesis of magnolamide for antioxidative activity,Catalyst for preparation of 9-acridinecaroboxamide derivative.

Specifications

Synonyms

(benzotriazol-1yloxy)-tris(dimethylamino)-phosphoniumhexafluorophosphate | (benzotriazol-1-yloxy)tris(dimethylamino) phosphonium hexafluorophosphate | benzotriazol-1-yloxytris(dimethylamino)phosphoniumhexafluorophosphate | benzotriazol-1-yl-oxy-tris(dimet

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
• IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate
• InChIKey: MGEVGECQZUIPSV-UHFFFAOYSA-N
• INCHI: 1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
• Isomeric SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 151348
• UN Number: 1325
• Molecular Weight: 442.29
• Beilstein: 4287025
• Reaxy-Rn: 4287025

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (hydrolyses), acetone, and dichloromethane.
• Sensitivity: Light & Moisture Sensitive.
• Melt Point(°C): 135-140°C
• Molecular Weight: 442.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 442.123 Da
• Monoisotopic Mass: 442.123 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 368.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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