Magnesium;but-1-ene;chloride

Base Information

• Chemical Name: Magnesium;but-1-ene;chloride
• CAS No.: 21969-32-4
• Molecular Formula: C4H7ClMg
• Molecular Weight: 114.858
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID40402180
• Mol file: 21969-32-4.mol

Synonyms:magnesium;but-1-ene;chloride;DTXSID40402180;J-014798

Chemical Property of Magnesium;but-1-ene;chloride

Chemical Property:

• Boiling Point: 67 °C
• Flash Point: −4 °F
• PSA: 0.00000
• Density: 0.917 g/mL at 25 °C
• LogP: -1.48690
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.0086696
• Heavy Atom Count: 6
• Complexity: 14

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-2-propenylmagnesium chloride solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C,Xn
• Statements: 11-14-19-20/21/22-34-40-36/37/38-14/15
• Safety Statements: 16-26-27-36/37/39-45-43-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[CH-]C=C.[Mg+2].[Cl-]
• Uses: 1-Methyl-2-propenylmagnesium chloride is a Grignard type allylating reagent that can be used for the preparation of corresponding homoallylic alcohols by reacting with various aldehydes. It can also be utilized in the synthesis of 3,4-dihydro-4-(1-methyl-2-propen-1-yl)-2(1H)-pyrimidinethione derivatives by treating with 2-mercaptopyrimidine.

Technology Process of Magnesium;but-1-ene;chloride

There total 2 articles about Magnesium;but-1-ene;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: 80.0%

→ crotylmagnesium chloride (21969-32-4)

Guidance literature:

Reference yield:

crotonyl chloride (10487-71-5) → crotylmagnesium chloride (21969-32-4)

Guidance literature:

With magnesium; In diethyl ether;

Reference yield: 99.0%

crotylmagnesium chloride (21969-32-4) + (5R)-(-)-<(1R)-1-(2,6-dichlorophenyl)ethyl>-5-(p-toluenesulfonyl)pyrrolidinone (134457-72-0) → (5S)-5-(2-but-3-enyl)-1-<(1R)-1-(2,6-dichlorophenyl)ethyl>pyrrolidinone (134527-63-2)

Guidance literature:

With zinc dibromide; In tetrahydrofuran; diethyl ether; at 0 ℃; for 2h;

DOI:10.1021/jo00016a013

upstream raw materials:

crotonyl chloride

Downstream raw materials:

1-Phenyl-3-methylcyclopentylbenzen

5-Deuterio-3-methyl-5-phenyl-1-penten

2-Deuterio-1-methyl-4-phenylcylopentan

(3-methylpent-4-en-1-yl)benzene