Magnesium;1-methanidyl-3-methoxybenzene;chloride

Base Information

• Chemical Name: Magnesium;1-methanidyl-3-methoxybenzene;chloride
• CAS No.: 26905-40-8
• Molecular Formula: C8H9ClMgO
• Molecular Weight: 180.917
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID70460455
• Mol file: 26905-40-8.mol

Synonyms:magnesium;1-methanidyl-3-methoxybenzene;chloride;DTXSID70460455;FKRZJHINSOKNDI-UHFFFAOYSA-M;BBA90540;3-Methoxybenzylmagnesium chloride, 0.25M 2-MeTHF;J-016594;Magnesium chloride (3-methoxyphenyl)methanide (1/1/1)

Chemical Property of Magnesium;1-methanidyl-3-methoxybenzene;chloride

Chemical Property:

• Vapor Pressure: 1.8mmHg at 25°C
• Boiling Point: 65 °C
• Flash Point: 1 °F
• PSA: 9.23000
• Density: 0.904 g/mL at 25 °C
• LogP: 2.70040
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: It reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.0192343
• Heavy Atom Count: 11
• Complexity: 80.6

Purity/Quality:

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

3-Methoxybenzylmagnesium chloride solution 0.25M in THF ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)[CH2-].[Mg+2].[Cl-]
• Uses: 3-Methoxybenzylmagnesium chloride is used as pharmaceutical intermediate.

Technology Process of Magnesium;1-methanidyl-3-methoxybenzene;chloride

There total 2 articles about Magnesium;1-methanidyl-3-methoxybenzene;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:

(1R,2S)-1-(4,5-diphenyl-oxazol-2-yl)-1,2-epoxycyclohexane + copper(II)bromide (7789-45-9) + m-methoxybenzyl chloride (824-98-6) → (1S,2R)-1-(4,5-Diphenyloxazol-2-yl)-1-hydroxy-2-(3-methoxybenzyl)cyclohexane (1435731-63-7) + 3-methoxybenzylmagnesium chloride (26905-40-8)

Guidance literature:

With ammonium chloride; iodine; magnesium; In tetrahydrofuran;

Reference yield:

m-methoxybenzyl chloride (824-98-6) → 3-methoxybenzylmagnesium chloride (26905-40-8)

Guidance literature:

With magnesium; In diethyl ether;

DOI:10.1016/S0040-4020(01)88438-6

Reference yield: 86.0%

3,7-dimethyl-2E,6-octadien-1-yl acetate (105-87-3,8022-83-1) + 3-methoxybenzylmagnesium chloride (26905-40-8) → trans-1-(4,8-dimethylnona-3,7-dien-1-yl)-3-methoxybenzene (38011-81-3)

Guidance literature:

With dilithium tetrachlorocuprate; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/j.ejmech.2018.04.032

upstream raw materials:

m-methoxybenzyl chloride

copper(II)bromide

Downstream raw materials:

1-Methoxy-3-((3E,7E)-4,7,8-trimethyl-dodeca-3,7,11-trienyl)-benzene

1-Methoxy-3-(5-trimethylsilanyl-3-trimethylsilanyloxy-cyclohex-2-enylmethyl)-benzene

1,2-bis(3-methoxyphenyl)ethan-1-one

(3aS,7aR)-4-[2-(3-Methoxy-phenyl)-eth-(E)-ylidene]-7a-methyl-1-methylene-1,2,3,3a,4,7a-hexahydro-inden-5-one

Refernces

• 1、 Berrier, C.,Jacquesy, J. C.,Gesson, J. P.,Renoux, A.. "CYCLISATION DE DIARYLALCANES EN MILIEU SUPERACIDE: SYNTHESE DE CETONES TRICYCLIQUES A METHYLE ANGULAIRE ET MECANISME DE LEUR ISOMERISATION". . p. 1983 - 1994. Retrieved 2007/10/02.