CID 6093773

Base Information

• Chemical Name: CID 6093773
• CAS No.: 13291-18-4
• Molecular Formula: C3H5BrMg
• Molecular Weight: 145.282
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID30400519
• Mol file: 13291-18-4.mol

Synonyms:DTXSID30400519;FT-0694868

Chemical Property of CID 6093773

Chemical Property:

• Melting Point: 102-104 °C
• Boiling Point: 67 °C
• Flash Point: -36 °F
• PSA: 0.00000
• Density: 0.94 g/mL at 20 °C
• LogP: 1.91490
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.94250
• Heavy Atom Count: 5
• Complexity: 7.5

Purity/Quality:

99.9% ^*data from raw suppliers

Isopropenylmagnesium bromide solution 1.0 M in 2-methyltetrahydrofuran ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14/15-34-40-37-19-14
• Safety Statements: 26-30-36/37/39-43-45-7/8-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[C-]=C.[Mg+2].[Br-]
• Uses: Grignard reagent in greener solvent, 2-methyltetrahydrofuran (2-MeTHF)2-Methyltetrahydrofuran (2-MeTHF): A Biomass-Derived Solvent with Broad Application in Organic Chemistry Isopropenylmagnesium bromide (iPrMgBr) solution (0.5 M in THF) has been used in the Grignard reaction, a key step the in preparation of zofenoprilat and (S)-(?)-phosphonotrixin. It can also be used for the regioselective ring opening of an optically active epoxy alcohol in the total synthesis of (+)-desepoxyasperdiol.

Technology Process of CID 6093773

There total 2 articles about CID 6093773 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-bromoprop-1-ene (557-93-7) → isopropenylmagnesium bromide (13291-18-4)

Guidance literature:

With magnesium; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jo951806y

Reference yield:

→ isopropenylmagnesium bromide (13291-18-4)

Guidance literature:

Reference yield: 85.0%

cyclohept-1-en-1-yl trifluoromethanesulfonate (28075-51-6) + carbon monoxide (201230-82-2) + isopropenylmagnesium bromide (13291-18-4) → C11H16O (1030239-96-3) + 2,3-dimethyl-buta-1,3-diene (513-81-5)

Guidance literature:

isopropenylmagnesium bromide; With zinc dibromide; In tetrahydrofuran; at 20 ℃;

cyclohept-1-en-1-yl trifluoromethanesulfonate; carbon monoxide; With zinc dibromide; nickel dichloride; In tetrahydrofuran; dimethyl sulfoxide; at 50 ℃; for 0.333333h; under 760.051 Torr; Further stages.;

DOI:10.1016/j.tetlet.2008.03.035

upstream raw materials:

2-bromoprop-1-ene

Downstream raw materials:

1-chloro-4-(1-methylethenyl)-benzene

3-(1-propen-2-yl)cyclohexanone

1,4-Dichlor-2,5-di-isopropenyl-benzol

3,5-Di-isopropenyl-1-chlorbenzol

Refernces

• 1、 -. "THERAPEUTIC AGENT FOR DIABETES". . . Retrieved 2008/06/13.
• 2、 Wieland,Georgi. "On the ingredients of the green amanita. 28. Syntheses of beta-methyl-gamma-hydroxy-leucine and beta-methyl-gamma-delta dihydroxy-leucine, two assumed amantine-elements". . p. 133 - 148. Retrieved 2007/10/11.