3-bromo-1-ethylpyridin-2(1H)-one

Base Information

• Chemical Name: 3-bromo-1-ethylpyridin-2(1H)-one
• CAS No.: 63756-59-2
• Molecular Formula: C₇H₈BrNO
• Molecular Weight: 202.051
• DSSTox Substance ID: DTXSID601302322
• Mol file: 63756-59-2.mol

Synonyms:3-bromo-1-ethylpyridin-2(1H)-one;63756-59-2;3-bromo-1-ethylpyridin-2-one;starbld0044636;SCHEMBL1441164;WNODRNXZNFSPED-UHFFFAOYSA-N;DTXSID601302322;3-Bromo-1-ethyl-2(1H)-pyridinone;AKOS037654253;KS-9304

Chemical Property of 3-bromo-1-ethylpyridin-2(1H)-one

Chemical Property:

• Melting Point: 150 °C
• Boiling Point: 282-284 °C(Press: 750 Torr)
• PSA: 22.00000
• Density: 1.547±0.06 g/cm3(Predicted)
• LogP: 1.63070
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.97893
• Heavy Atom Count: 10
• Complexity: 208

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CC=C(C1=O)Br

Technology Process of 3-bromo-1-ethylpyridin-2(1H)-one

There total 2 articles about 3-bromo-1-ethylpyridin-2(1H)-one 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: 41.0%

1-ethyl-2-pyridone (13337-79-6) → 3,5-dibromo-1-ethyl-2-pyridone (14529-55-6) + 3-bromo-1-ethylpyridin-2(1H)-one (63756-59-2) + 5-bromo-1-ethyl-1,2-dihydropyridin-2-one (63785-87-5)

Guidance literature:

With 1,4-dioxane dibromide; In 1,4-dioxane; at 10 ℃; for 1h;

DOI:10.1007/BF00506617

Reference yield: 9.0%

1-ethyl-2-pyridone (13337-79-6) → 3-bromo-1-ethylpyridin-2(1H)-one (63756-59-2) + 5-bromo-1-ethyl-1,2-dihydropyridin-2-one (63785-87-5)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 10 ℃; for 4h;

DOI:10.1007/BF00506617

Reference yield:

3-bromo-1-ethylpyridin-2(1H)-one (63756-59-2) + C23H26BNO5 → C24H22N2O4

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; caesium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1111/cbdd.12703

upstream raw materials:

1-ethyl-2-pyridone

Downstream raw materials:

3-cyclohexyl-N-ethyl-2-pyridone