Ethyl 5-bromo-2-cyanopentanoate

Base Information

• Chemical Name: Ethyl 5-bromo-2-cyanopentanoate
• CAS No.: 344294-88-8
• Molecular Formula: C8H12BrNO2
• Molecular Weight: 234.093
• DSSTox Substance ID: DTXSID20516496
• Mol file: 344294-88-8.mol

Synonyms:Ethyl 5-bromo-2-cyanopentanoate;344294-88-8;DTXSID20516496

Chemical Property of Ethyl 5-bromo-2-cyanopentanoate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 233.00514
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCCBr)C#N

Technology Process of Ethyl 5-bromo-2-cyanopentanoate

There total 1 articles about Ethyl 5-bromo-2-cyanopentanoate 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: 50.0%

ethyl 2-cyanoacetate (105-56-6) + 1,3-dibromo-propane (109-64-8) → 5-bromo-2-cyano-valeric acid ethyl ester (344294-88-8) + ethyl 1-cyano-1-cyclobutanecarboxylate (28246-87-9)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide;

Reference yield: 90.0%

5-bromo-2-cyano-valeric acid ethyl ester (344294-88-8) + phenylboronic acid (98-80-6) → 5-bromo-1-phenyl-1-pentanone (4509-91-5)

Guidance literature:

With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In 1,2-dimethoxyethane; at 60 ℃; for 12h;

DOI:10.1039/c5nj01597a

upstream raw materials:

ethyl 2-cyanoacetate

1,3-dibromo-propane

Downstream raw materials:

5-bromo-1-phenyl-1-pentanone

Refernces