(1,3-Dioxolan-2-ylmethyl)magnesium bromide solution - 0.5M in THF , CAS No.180675-22-3

CAS: 180675-22-3 Cat. No.: D465905 Fórmula: C₄H₇BrMgO₂ Peso molecular: 191.31 Número CE: 629-669-2

GRADE & PURITY 0.5M in THF

Synonyms

AKOS015909032 | 4-HYDROXY-3-METHYLBENZYLALCOHOL | SCHEMBL285800 | (1,3-dioxolan-2-ylmethyl)magnesium bromide | 1,3-Dioxolan-2-ylmethylmagnesium bromide, 0.50 M in 2-MeTHF | 1,3-Dioxolan-2-ylmethylmagnesium bromide | ZDNTZRAFJZERSL-UHFFFAOYSA-M | 2-[(bromo

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Description

(1,3-Dioxolan-2-ylmethyl)magnesium bromide is a Grignard reagent that can be used to prepare:3-[11C]-Propionaldehyde, a key intermediate for the synthesis of radiolabeled compound [11C]SN-38, wherein SN-38 is 7-ethyl-10-hydroxy camptothecin.1-[(S)-2,2-Dimethyl-(1,3)-dioxolan-4-yl]-4-(1,3-dioxolan2-yl)-2-ol by reacting with D-glyceraldehyde, which is further used to synthesize unsaturated nucleosides.A bicyclo carboxylate intermediate, which is employed in the total synthesis of spirovibsanin A.

Specifications

Sinónimos

AKOS015909032 | 4-HYDROXY-3-METHYLBENZYLALCOHOL | SCHEMBL285800 | (1,3-dioxolan-2-ylmethyl)magnesium bromide | 1,3-Dioxolan-2-ylmethylmagnesium bromide, 0.50 M in 2-MeTHF | 1,3-Dioxolan-2-ylmethylmagnesium bromide | ZDNTZRAFJZERSL-UHFFFAOYSA-M | 2-[(bromo

Especificações e pureza

0.5M in THF

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

528752745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528752745

Sorrisos canónicos

[CH2-]C1OCCO1.[Mg+2].[Br-]

IUPAC Name

magnesium;2-methanidyl-1,3-dioxolane;bromide

InChIKey

IERSPCAGKAOLSQ-UHFFFAOYSA-M

INCHI

1S/C4H7O2.BrH.Mg/c1-4-5-2-3-6-4;;/h4H,1-3H2;1H;/q-1;;+2/p-1

SMILES isoméricas

[CH2-]C1OCCO1.[Mg+2].[Br-]

WGK Alemanha

3

Peso molecular

191.31

Reaxy-Rn

5491248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5491248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Oxacyclic compounds Organic metal halides Organic metal bromide salts Acetals Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxolane - Organic metal halide - Oxacycle - Organic metal bromide salt - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Organic cation - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive；Moisture sensitive
• Ponto de inflamação (°F): 1.4 °F
• Ponto de inflamação (°C): -17 °C
• Ponto de ebulição (°C): 65-67 °C
• Peso molecular: 191.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.948 Da
• Monoisotopic Mass: 189.948 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 47.300
• 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: 3

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