Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1)
• CAS No.: 219706-48-6
• Molecular Formula: C₈H₉BrMgO
• Molecular Weight: 225.368
• DSSTox Substance ID: DTXSID20504479
• Mol file: 219706-48-6.mol

Synonyms:Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1);magnesium;ethoxybenzene;bromide;DTXSID20504479

Chemical Property of Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1)

Chemical Property:

• Flash Point: -19 °C
• PSA: 9.23000
• Density: 1.006 g/mL at 25 °C
• LogP: -0.99800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 223.96872
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

3-Ethoxyphenylmagnesium bromide solution 1?M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-14/15-19-36/37-40
• Safety Statements: 16-26-36/37-43

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C[C-]=C1.[Mg+2].[Br-]

Technology Process of Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1)

There total 1 articles about Magnesium bromide 3-ethoxybenzen-1-ide (1/1/1) 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:

m-ethoxyphenyl bromide (2655-84-7) → (3-ethoxyphenyl)magnesium bromide (219706-48-6)

Guidance literature:

With magnesium; In tetrahydrofuran; Inert atmosphere;

DOI:10.1021/om900905c

Reference yield: 39.0%

(3-ethoxyphenyl)magnesium bromide (219706-48-6) + 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → tert-butyl 3-(3-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate (1366793-22-7)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield:

(3-ethoxyphenyl)magnesium bromide (219706-48-6) → (2S)-3-(3-(3-ethoxyphenyl)piperidin-1-yl)-1,1,1-trifluoropropan-2-ol (1602924-12-8)

Guidance literature:

Multi-step reaction with 4 steps

1: diethyl ether / 2 h / 0 - 20 °C / Inert atmosphere

2: trifluoroacetic acid / 7 h / 80 °C / Inert atmosphere

3: palladium on activated charcoal; hydrogen / methanol / 6 h / 20 °C / 1551.49 Torr / Inert atmosphere

4: acetonitrile / 2 h / 20 °C / Inert atmosphere

With palladium on activated charcoal; hydrogen; trifluoroacetic acid; In methanol; diethyl ether; acetonitrile;

upstream raw materials:

m-ethoxyphenyl bromide

Downstream raw materials:

2-cyclopentanone

(3-Ethoxy-phenyl)-methoxymethoxy-acetic acid ethyl ester

8-Ethoxy-4-(3-ethoxy-phenyl)-1,2,3,10a-tetrahydro-9,10-diaza-benzo[f]azulene

2-cyclopentanone tosylhydrazone

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