Methyltriphenylphosphonium bromide - ≥98% , CAS No.1779-49-3

CAS: 1779-49-3 Cat. No.: M106665 Formula: C₁₉H₁₈BrP Peso molecolare: 357.22 Beilstein Registry Number: 3599467 Numero EC: 217-218-9

GRADE & PURITY ≥98%

Synonyms

Mops-M | methyltriphenylphosponium bromide | methyltriphenyphosphonium bromide | MFCD00011804 | 2-Methylbenzothiazol-2-amine | methyl triphenylphosphoniumbromide | methyl(triphenyl)phosphonium bromide | methyl(triphenyl)-phosphonium bromide | methyltriphe

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Used widely for methylenation via the Wittig reaction. Wittig olefination salt employed recently in a synthesis of an enyne which, via ring closing metathesis, provided a benzazepine ring system.

Specifications

Sinonimi

Mops-M | methyltriphenylphosponium bromide | methyltriphenyphosphonium bromide | MFCD00011804 | 2-Methylbenzothiazol-2-amine | methyl triphenylphosphoniumbromide | methyl(triphenyl)phosphonium bromide | methyl(triphenyl)-phosphonium bromide | methyltriphe

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488184934

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184934

Sorrisi canonici

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

IUPAC Name

methyl(triphenyl)phosphanium;bromide

InChIKey

LSEFCHWGJNHZNT-UHFFFAOYSA-M

INCHI

1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1

Isomeri SMILES

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

WGK Germania

3

Peso molecolare

357.22

Beilstein

3599467

Reaxy-Rn

3599467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3599467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

Obiettivi associati (non umani)

Schistosoma mansoni (6170 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Paracentrotus lividus (1138 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water & methanol.
• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 234-235°C
• Peso molecolare: 357.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 356.033 Da
• Monoisotopic Mass: 356.033 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 235.000
• 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