1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate - ≥98% , CAS No.128625-52-5

CAS: 128625-52-5 Cat. No.: P109336 Molecular Weight: 520.39 Beilstein Registry Number: 3584612 EC Number: 603-290-2 PubChem CID: 2724699

GRADE & PURITY ≥98%

Synonyms

PyBOP | (Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate, 98% | F0001-0399 | ((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate | PYRROLIDINE, PHOSPHORUS COMPLEX | (1h-benzo[d][1,2,3]triazol-1-yloxy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Describtion:

BOP coupling agent analogue, does not produce carcinogenic by-product HMPA

Product Application:

Reagent for:

Synthesis of single labeled oligonucleotides that fluoresce upon matched hybridization

Generation of endocrine disruptor chemical binders

Cycloaddition to template-assembled multivalent peptide conjugates

1H-Benzotriazol-1-yloxytri(1-pyrrolidinyl) phosphonium hexafluorophosphate is a peptide coupling reagent utilized in solid phase peptide synthesis. It is also used as a substitute for the (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate (BOP) reagent.

Specifications

Synonyms

PyBOP | (Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate, 98% | F0001-0399 | ((1H-Benzo[d][1, 2, 3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate | PYRROLIDINE, PHOSPHORUS COMPLEX | (1h-benzo[d][1, 2, 3]triazol-1-yloxy

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: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
• IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
• InChIKey: VIAFLMPQBHAMLI-UHFFFAOYSA-N
• INCHI: 1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
• Isomeric SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 2724699
• Molecular Weight: 520.39
• Beilstein: 3584612
• Reaxy-Rn: 3584612

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 Pyrrolidines 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 - Pyrrolidine - 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 chloroform.
• Sensitivity: heat sensitive,light sensitive,Moisture sensitive
• Melt Point(°C): 152-158°C
• Molecular Weight: 520.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 520.17 Da
• Monoisotopic Mass: 520.17 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 500.000
• 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

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