Magnesium, bromooctyl-

Base Information

• Chemical Name: Magnesium, bromooctyl-
• CAS No.: 17049-49-9
• Molecular Formula: C8H17BrMg
• Molecular Weight: 217.432
• Hs Code.: 29319090
• European Community (EC) Number: 629-427-6
• DSSTox Substance ID: DTXSID10884954
• Mol file: 17049-49-9.mol

Synonyms:n-Octylmagnesium Bromide;17049-49-9;Magnesium, bromooctyl-;octylmagnesium bromide;magnesium;octane;bromide;Bromooctyl magnesium;MFCD00191566;n-Octylmagnesium Bromide (ca. 22% in Tetrahydrofuran, ca. 1mol/L);n-octylmagnesiumbromide;octyl magnesium bromide;C8H17MgBr;1-octylmagnesium bromide;N-Octyl Magnesium Bromide;SCHEMBL305058;DTXSID10884954;ZDUZWGUHIRQPGP-UHFFFAOYSA-M;AKOS015903719;n-Octylmagnesium bromide, 1.0 M in THF;n-Octylmagnesium bromide, 1.0 M in 2-MeTHF;J-802264

Chemical Property of Magnesium, bromooctyl-

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Boiling Point: 34.6 °C
• Flash Point: -31 °F
• PSA: 0.00000
• Density: 0.961 g/mL at 25 °C
• LogP: 4.16010
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 216.03640
• Heavy Atom Count: 10
• Complexity: 40.2

Purity/Quality:

99% ^*data from raw suppliers

n-OctylmagnesiumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+; C
• Hazard Codes: F+,C
• Statements: 12-14/15-19-22-34-66-67-14
• Safety Statements: 26-36/37/39-43-45-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC[CH2-].[Mg+2].[Br-]

Technology Process of Magnesium, bromooctyl-

There total 4 articles about Magnesium, bromooctyl- 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: 90.0%

1-bromo-octane (111-83-1) → octylmagnesium bromide (17049-49-9)

Guidance literature:

With magnesium; In diethyl ether; at 25 ℃; under 5171.62 Torr; Solvent; Concentration; Inert atmosphere; Flow reactor;

DOI:10.3762/bjoc.16.115

Reference yield:

N-ethylsuccinimide (2314-78-5) + 1-bromo-octane (111-83-1) + sulfuric acid (7664-93-9) → octylmagnesium bromide (17049-49-9)

Guidance literature:

With magnesium; In tetrahydrofuran; diethyl ether;

Reference yield:

1-bromo-octane (111-83-1) → octylmagnesium bromide (17049-49-9)

Guidance literature:

With diethyl ether;

upstream raw materials:

1-bromo-octane

N-ethylsuccinimide

sulfuric acid

Downstream raw materials:

1-Decanol

(4E)-tridec-4-en-1-ol

9-heptadecanol

1-chloro-heptadec-8-ene

Refernces

• 1、 Adamo, Andrea,Berton, Mateo,McQuade, D. Tyler,Sheehan, Kevin. "Disposable cartridge concept for the on-demand synthesis of turbo Grignards, Knochel–Hauser amides, and magnesium alkoxides". supporting information. p. 1343 - 1356. Retrieved 2020/07/10.
• 2、 Li, Jie,Ren, Qianyi,Cheng, Xinyi,Karaghiosoff, Konstantin,Knochel, Paul. "Chromium(II)-Catalyzed Diastereoselective and Chemoselective Csp2-Csp3 Cross-Couplings Using Organomagnesium Reagents". supporting information. p. 18127 - 18135. Retrieved 2019/11/19.