Magnesium 1-fluoro-4-methanidylbenzene chloride

Base Information

• Chemical Name: Magnesium 1-fluoro-4-methanidylbenzene chloride
• CAS No.: 1643-73-8
• Molecular Formula: C7H6ClFMg
• Molecular Weight: 168.881
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID10380825
• Mol file: 1643-73-8.mol

Synonyms:magnesium 1-fluoro-4-methanidylbenzene chloride;magnesium;1-fluoro-4-methanidylbenzene;chloride;DTXSID10380825;A810563;magnesium 1-fluoranyl-4-methanidyl-benzene chloride;Magnesium chloride (4-fluorophenyl)methanide (1/1/1)

Chemical Property of Magnesium 1-fluoro-4-methanidylbenzene chloride

Chemical Property:

• Appearance/Colour: yellow to orange or brown solution
• Boiling Point: 65 °C(lit.)
• Flash Point: 1 °F
• PSA: 0.00000
• Density: 0.910g/mL at 25 °C(lit.)
• LogP: 2.83090
• 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: 167.9992477
• Heavy Atom Count: 10
• Complexity: 62.8

Purity/Quality:

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

4-Fluorobenzylmagnesium chloride, 0.25M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+,C,F
• Hazard Codes: F+,C,F,Xn
• Statements: 12-14-19-22-34-67-40-36/38-36/37/38-11
• Safety Statements: 9-16-29-33-45-36/37/39-26-23-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH2-]C1=CC=C(C=C1)F.[Mg+2].[Cl-]
• Uses: 4-Fluorobenzylmagnesium chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of Magnesium 1-fluoro-4-methanidylbenzene chloride

There total 2 articles about Magnesium 1-fluoro-4-methanidylbenzene chloride 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-chloromethyl-4-fluorobenzene (352-11-4) → (4-fluorobenzyl)magnesium chloride (1643-73-8)

Guidance literature:

With magnesium; In tetrahydrofuran; for 2.16667h;

DOI:10.1021/jo0616963

Reference yield:

→ (4-fluorobenzyl)magnesium chloride (1643-73-8)

Guidance literature:

Reference yield: 91.0%

(4-fluorobenzyl)magnesium chloride (1643-73-8) + (E)-(4S,5S,6S)-5-tert-Butoxycarbonylamino-4-methanesulfonyloxy-6-methyl-oct-2-enoic acid tert-butyl ester (143264-69-1) → (E)-(2S,5S,6S)-5-tert-Butoxycarbonylamino-2-(4-fluoro-benzyl)-6-methyl-oct-3-enoic acid tert-butyl ester

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); lithium chloride; zinc(II) chloride; In tetrahydrofuran; diethyl ether; at 0 ℃; for 1h;

DOI:10.1016/S0040-4039(00)60534-8

upstream raw materials:

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

2-(4-Fluor-benzyl)-1-methoxy-propan-2-ol

dl-1-Cyclopropyl-1,2-bis-(4-fluorphenyl)ethanol

2-<4-Fluor-benzyl>-indan-2-ol

2-(2-(4-fluorophenyl)-1-hydroxyethyl)phenol

Refernces

• 1、 -. "Substituted silyl alkylene amines". . . Retrieved 2008/06/13.