Magnesium bromide 3-chloro-5-fluorobenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium bromide 3-chloro-5-fluorobenzen-1-ide (1/1/1)
• CAS No.: 480438-50-4
• Molecular Formula: C6H3BrClFMg
• Molecular Weight: 233.75
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID10381039
• Mol file: 480438-50-4.mol

Synonyms:Magnesium bromide 3-chloro-5-fluorobenzen-1-ide (1/1/1);magnesium;1-chloro-3-fluorobenzene-5-ide;bromide;DTXSID10381039

Chemical Property of Magnesium bromide 3-chloro-5-fluorobenzen-1-ide (1/1/1)

Chemical Property:

• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.968 g/mL at 25 °C
• LogP: 3.12490
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 231.89411
• Heavy Atom Count: 10
• Complexity: 177

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-5-fluorophenylmagnesium bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C,Xn
• Statements: 11-14-19-22-34-40-36/37
• Safety Statements: 16-26-33-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=[C-]C=C(C=C1F)Cl.[Mg+2].[Br-]
• Uses: It is an important raw material and intermediate used in organic synthesis, Pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of Magnesium bromide 3-chloro-5-fluorobenzen-1-ide (1/1/1)

There total 1 articles about Magnesium bromide 3-chloro-5-fluorobenzen-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:

1-bromo-3-chloro-5-fluorobenzene (33863-76-2) + magnesium (7439-95-4) → 3-chloro-5-fluorophenylmagnesium bromide (480438-50-4)

Guidance literature:

With iodine; In tetrahydrofuran; for 1h; Heating / reflux;

Reference yield: 72.8%

3-chloro-5-fluorophenylmagnesium bromide (480438-50-4) + 2-chloro-5-n-pentylpyrimidine (154466-62-3) + 1-bromo-3-chloro-5-fluorobenzene (33863-76-2) → 2-(3-chloro-5-fluorophenyl)-5-pentylpyrimidine

Guidance literature:

With magnesium; In diethyl ether;

Reference yield: 50.0%

3-chloro-5-fluorophenylmagnesium bromide (480438-50-4) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-1-(3-chloro-5-fluorophenyl)propan-1-one (929565-56-0)

Guidance literature:

3-chloro-5-fluorophenylmagnesium bromide; zinc(II) chloride; In tetrahydrofuran; at 20 ℃; for 1h;

2-chloropropionyl chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 0 ℃; for 2h;

upstream raw materials:

1-bromo-3-chloro-5-fluorobenzene

magnesium

Downstream raw materials:

tert-butyl (3RS)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

3-chloro-1-(3-chloro-5-fluorophenyl)propan-1-one

C₁₇H₂₃ClFNO₃

C₁₂H₁₃ClFN