C7-H7-Br-Mg

Base Information

• Chemical Name: C7-H7-Br-Mg
• CAS No.: 1589-82-8
• Molecular Formula: C7H7BrMg
• Molecular Weight: 195.342
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID80936015
• Mol file: 1589-82-8.mol

Synonyms:C7-H7-Br-Mg;DTXSID80936015;BAA58982;Magnesium bromide 6-methylidenecyclohexa-2,4-dien-1-ide (1/1/1)

Chemical Property of C7-H7-Br-Mg

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 27.7mmHg at 25°C
• Boiling Point: 110.6°C at 760 mmHg
• Flash Point: 10°C
• PSA: 0.00000
• LogP: 2.84790
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 193.95815
• Heavy Atom Count: 9
• Complexity: 42

Purity/Quality:

99% ^*data from raw suppliers

MagnesiumMethanidylbenzeneBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH2-]C1=CC=CC=C1.[Mg+2].[Br-]
• General Description: Benzylmagnesium bromide is a Grignard reagent commonly used in organic synthesis, particularly in reactions with carbonyl compounds such as aldehydes. In the context of carbohydrate chemistry, it reacts with sugar aldehydes to form carbinols, though unexpected rearrangements (e.g., from benzyl to *o*-tolyl derivatives) may occur under certain conditions. The reactivity and product distribution of benzylmagnesium bromide can be influenced by factors such as temperature, solvent, and reactant stoichiometry, making it a versatile but sometimes unpredictable reagent in synthetic applications. Its utility extends to the preparation of modified sugars and bioactive molecules, though careful optimization of reaction conditions is often required to control selectivity.

Technology Process of C7-H7-Br-Mg

There total 6 articles about C7-H7-Br-Mg which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

benzyl bromide (100-39-0) → phenylmagnesium bromide (1589-82-8) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

With diethyl ether; magnesium;

Reference yield:

benzyl bromide (100-39-0) → phenylmagnesium bromide (1589-82-8)

Guidance literature:

With magnesium; In diethyl ether; Thermodynamic data; -ΔH(reaction);

Reference yield:

benzyl bromide (100-39-0) + 2-Bromo-3-(methoxymethoxy)pyridine (162271-10-5) → phenylmagnesium bromide (1589-82-8)

Guidance literature:

With ammonium chloride; magnesium; In tetrahydrofuran; diethyl ether;

upstream raw materials:

benzyl bromide

benzyl chloride

magnesium

2-Bromo-3-(methoxymethoxy)pyridine

Downstream raw materials:

2-benzylquinoline

(E)-2-(2-phenylethenyl)thiophene

benzyl 2-pyridyl ketone

phenylacetaldehyde

Refernces

Reaction of selected carbohydrate aldehydes with benzylmagnesium halides: Benzyl versus o-tolyl rearrangement

10.3762/bjoc.10.202

The research presents an investigation into the Grignard reaction of carbohydrate aldehydes with benzylmagnesium halides, focusing on the unexpected rearrangement from benzyl to o-tolyl carbinols. The study was prompted by challenges encountered in synthesizing benzyl-branched sugar carbinols, which are precursors for phenylalanine-branched sugars. The main reactants were 2,3-O-isopropylidene-α-D-lyxo-pentodialdo-1,4-furanoside and benzylmagnesium chloride or bromide. The reaction yielded a mixture of diastereomeric benzyl and o-tolyl carbinols, with the ratio varying based on the reaction conditions. The research employed various methods (A-E) to manipulate these conditions, including changes in temperature, reactant ratios, solvents, and the sequence of reactant addition. The products were analyzed using NMR spectral data, X-ray crystallographic analysis, and other analytical techniques such as specific rotations, melting points, and mass spectrometry to confirm the structures of the resulting compounds and to propose a possible mechanism for the rearrangement. The study concluded that the rearrangement was specific to the starting sugar aldehyde and provided valuable insights for the synthesis of structurally modified iminosugars and other biologically active compounds.

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