Magnesium bromide 4-chloro-3-fluorobenzen-1-ide (1/1/1)

Base Information

• Chemical Name: Magnesium bromide 4-chloro-3-fluorobenzen-1-ide (1/1/1)
• CAS No.: 170793-00-7
• Molecular Formula: C6H3BrClFMg
• Molecular Weight: 233.75
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID90380843
• Mol file: 170793-00-7.mol

Synonyms:Magnesium bromide 4-chloro-3-fluorobenzen-1-ide (1/1/1);magnesium;1-chloro-2-fluorobenzene-4-ide;bromide;DTXSID90380843

Chemical Property of Magnesium bromide 4-chloro-3-fluorobenzen-1-ide (1/1/1)

Chemical Property:

• Vapor Pressure: 9.22mmHg at 25°C
• 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
• 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

4-Chloro-3-fluorophenylmagnesium bromide 0.5M solution 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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=[C-]1)F)Cl.[Mg+2].[Br-]

Technology Process of Magnesium bromide 4-chloro-3-fluorobenzen-1-ide (1/1/1)

There total 1 articles about Magnesium bromide 4-chloro-3-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:

2-chloro-5-bromofluorobenzene (60811-18-9) → 4-chloro-3-fluorophenylmagnesium bromide (170793-00-7)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 100.0%

4-chloro-3-fluorophenylmagnesium bromide (170793-00-7) + (E)-ethyl 3-(4-bromophenyl)-2-cyanoacrylate (42205-33-4) → 3-(4-bromo-phenyl)-3-(4-chloro-3-fluoro-phenyl)-2-cyano-propionic acid ethyl ester (917898-95-4)

Guidance literature:

4-chloro-3-fluorophenylmagnesium bromide; (E)-ethyl 3-(4-bromophenyl)-2-cyanoacrylate; In tetrahydrofuran; toluene; at 0 - 70 ℃; for 16h;

With hydrogenchloride; water; In tetrahydrofuran; toluene; at 0 ℃;

Reference yield: 93.6%

N-methoxy-N-methyl-2-(1,1,2,2-tetramethyl-1-silapropoxy)acetamide (163089-34-7) + 4-chloro-3-fluorophenylmagnesium bromide (170793-00-7) → 2-(tert-butyldimethylsilyloxy)-1-(4-chloro-3-fluorophenyl)ethanone (1312718-89-0)

Guidance literature:

N-methoxy-N-methyl-2-(1,1,2,2-tetramethyl-1-silapropoxy)acetamide; 4-chloro-3-fluorophenylmagnesium bromide; In tetrahydrofuran; at 0 ℃; for 2h;

With ammonium chloride; In tetrahydrofuran;

upstream raw materials:

2-chloro-5-bromofluorobenzene

Downstream raw materials:

1-chloro-2-fluoro-4-(2-methylallyl)benzene

tert-butyl 4-(4-chloro-3-fluorophenyl)-4-hydroxypiperidine-1-carboxylate

3-(4-bromo-phenyl)-3-(4-chloro-3-fluoro-phenyl)-2-cyano-propionic acid ethyl ester

tert-butyl 5-oxo-5-(4-chloro-3-fluorophenyl)pentylcarbamate

Refernces