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

CAS: 180675-22-3 Cat. No.: D465905 Molecular Weight: 191.31 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

0.5M in THF

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: [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
• Isomeric SMILES: [CH2-]C1OCCO1.[Mg+2].[Br-]
• WGK Germany: 3
• Molecular Weight: 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
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive；Moisture sensitive
• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17 °C
• Boil Point(°C): 65-67 °C
• Molecular Weight: 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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