CID 6099587

Base Information

• Chemical Name: CID 6099587
• CAS No.: 16466-97-0
• Molecular Formula: C₃H₃BrMg
• Molecular Weight: 143.266
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID50394128
• Mol file: 16466-97-0.mol

Synonyms:DTXSID50394128;FT-0694864

Chemical Property of CID 6099587

Chemical Property:

• Melting Point: 53.5 °C(Solv: methanol (67-56-1))
• Boiling Point: 65-67 °C
• Flash Point: <−30 °F
• PSA: 0.00000
• Density: 0.941 g/mL at 25 °C
• LogP: 1.36210
• Storage Temp.: 2-8°C
• Solubility.: THF
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.92685
• Heavy Atom Count: 5
• Complexity: 26.5

Purity/Quality:

98%, ^*data from raw suppliers

1-Propynylmagnesium bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, C
• Hazard Codes: F,C
• Statements: 11-14/15-34-40-37-19
• Safety Statements: 16-26-36/37/39-43-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#[C-].[Mg+2].[Br-]
• Uses: Preparation of hydroxy enynes which underwent gold(I)-catalyzed benzannulation leading to tetrahydronaphthalenes.1 1-Propynylmagnesium Bromide Solution is a useful research reagent for chemical and organic transformations. It acts as a reagent in the synthesis of lasonolides a novel polyketides with biological activity in vitro against a variety of cancer cell lines.

Technology Process of CID 6099587

There total 5 articles about CID 6099587 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:

ethyl bromide (74-96-4) + ammonium chloride + prop-1-yne (74-99-7) → 1-propynylmagnesium bromide (16466-97-0,13254-27-8)

Guidance literature:

With magnesium; In diethyl ether; water;

Reference yield:

prop-1-yne (74-99-7) → 1-propynylmagnesium bromide (16466-97-0,13254-27-8)

Guidance literature:

With ethylmagnesium bromide;

Reference yield:

ethyl bromide (74-96-4) + prop-1-yne (74-99-7) → 1-propynylmagnesium bromide (16466-97-0,13254-27-8)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

ethylmagnesium bromide

prop-1-yne

ethyl bromide

Downstream raw materials:

pent-3-yn-1-ol

(E)-1-phenyl-1-hexen-4-yn-3-ol

trimethyl(prop-1-ynyl)silane

4-methyl-1-prop-1-ynyl-cyclohexanol

Refernces

• 1、 Deslongchamps, Pierre,Roy, Bernard L.. "Synthesis of 9- and 10-membered rings by the intramolecular Michael addition of malonate on enone and ynone". . p. 2068 - 2075. Retrieved 2007/10/02.
• 2、 -. "Asymmetric synthesis of optically active compounds". . . Retrieved 2008/06/13.