4-Thioanisolemagnesium bromide

Base Information

• Chemical Name: 4-Thioanisolemagnesium bromide
• CAS No.: 18620-04-7
• Molecular Formula: C7H7BrMgS
• Molecular Weight: 227.408
• Hs Code.: 29309090
• European Community (EC) Number: 807-344-8
• Mol file: 18620-04-7.mol

Synonyms:18620-04-7;4-Thioanisolemagnesium bromide;magnesium;methylsulfanylbenzene;bromide;MFCD00672010;(4-(methylthio)phenyl)magnesium bromide;Magnesium,bromo[4-(methylthio)phenyl]-;4-(methylthio)phenylmagnesium bromide;SCHEMBL958355;SSVQCUSLJVVRCA-UHFFFAOYSA-M;4-THIOANISOLEMAGNESIUMBROMIDE;4-methylsulfanylphenylmagnesium bromide;AKOS015909230;4-methylsulfanyl-phenylmagnesium bromide;4-Thioanisolemagnesium bromide, 0.5M THF;4-Thioanisolemagnesium bromide 0.5 M in Tetrahydrofuran;4-Thioanisolemagnesium bromide, 0.5M in tetrahydrofuran;4-(Methylthio)phenylmagnesium bromide, 0.50 M in 2-MeTHF

Chemical Property of 4-Thioanisolemagnesium bromide

Chemical Property:

• Boiling Point: 65 °C
• Flash Point: <1 °F
• PSA: 25.30000
• Density: 0.965 g/mL at 25 °C
• LogP: 3.05430
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.93023
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

98%Min ^*data from raw suppliers

4-Thioanisolemagnesium bromide solution 0.5M in THF ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=[C-]C=C1.[Mg+2].[Br-]
• Uses: 4-Thioanisolemagnesium bromide can be used to prepare:3,3-Ethylenedioxy-5a-hydroxy-11b-[4-(thiomethoxy)phenyl]-estr-9-en-17-one, a key intermediate for the synthesis of mifepristone analogs.(1S)-1,4-Anhydro-2,3,5,6-tetra-O-benzyl-1-C-[4-chloro-3-(4-methylthiobenzyl)-phenyl]-D-glucitol, a key intermediate for the synthesis of aryl?D-glucofuranosides as potent hSGLT2 and hSGLT1 inhibitors.

Technology Process of 4-Thioanisolemagnesium bromide

There total 2 articles about 4-Thioanisolemagnesium bromide 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: 72.0%

→ 1,2-bis[4-(methylthio)phenyl]disulfane (20057-77-6) + 4-thioanisolemagnesium bromide (18620-04-7)

Guidance literature:

Reference yield:

(4-bromophenyl)thioanisole (104-95-0) → 4-thioanisolemagnesium bromide (18620-04-7)

Guidance literature:

With magnesium; In tetrahydrofuran; at 0 ℃;

Reference yield: 95.0%

4-thioanisolemagnesium bromide (18620-04-7) + 2-(phenylmethoxy)benzaldehyde (5896-17-3) → (2-Benzyloxyphenyl)-(4-methylsulfanylphenyl)methanol (875109-38-9)

Guidance literature:

4-thioanisolemagnesium bromide; 2-(phenylmethoxy)benzaldehyde; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

With water; ammonium chloride; In tetrahydrofuran; at 0 ℃;

upstream raw materials:

(4-bromophenyl)thioanisole

Downstream raw materials:

1-Methoxy-2-(4-methylmercapto-phenyl)-propan-2-ol

2-(4-(methylthio)phenyl)adamantan-2-ol

Bis<4-(methylthio)phenyl>phenylmethanol

7-(4-Methylsulfanyl-phenyl)-octahydro-2,5-methano-inden-7-ol

Refernces

• 1、 -. "Novel chromogenic substances and use thereof for the determination of carboxypeptidase activities". Page/Page column 30;33. . Retrieved 2008/06/13.