3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine

Base Information

• Chemical Name: 3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine
• CAS No.: 158331-18-1
• Molecular Formula: C₈H₈BrN
• Molecular Weight: 198.062
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30467965
• Nikkaji Number: J1.986.050G
• Mol file: 158331-18-1.mol

Synonyms:3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;158331-18-1;3-BROMO-6,7-DIHYDRO-5H-[1]PYRINDINE;3-bromo-5H,6H,7H-cyclopenta[b]pyridine;5H-Cyclopenta[b]pyridine, 3-bromo-6,7-dihydro-;MFCD08706061;SCHEMBL9403398;DTXSID30467965;AOUSQPREWBGRAO-UHFFFAOYSA-N;AKOS006288088;CS-W004197;FS-2621;SY042931;FT-0697761;EN300-119429;A854003;Not available;3-Bromo-5H,6H,7H-cyclopenta[b]pyridine;Z1198182024

Chemical Property of 3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine

Chemical Property:

• Vapor Pressure: 0.073mmHg at 25°C
• Melting Point: 65-67 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.608
• Boiling Point: 236.409°C at 760 mmHg
• PKA: 3.83±0.20(Predicted)
• Flash Point: 96.777°C
• PSA: 12.89000
• Density: 1.548g/cm³
• LogP: 2.33280
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.98401
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)N=CC(=C2)Br

Technology Process of 3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine

There total 4 articles about 3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine 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: 95.0%

3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide → 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine (158331-18-1)

Guidance literature:

With indium; titanium tetrachloride; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

DOI:10.1081/SCC-120026845

Reference yield: 40.0%

1-pyrrolidinocyclopent-1-ene (7148-07-4) + 5-bromo-1,2,3-triazine (114078-88-5) → 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine (158331-18-1)

Guidance literature:

In chloroform; at 0 - 45 ℃; for 0.833333h; regioselective reaction;

DOI:10.1021/ja204856a

Reference yield:

2,3-cyclopentenopyridine (533-37-9) → 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine (158331-18-1)

Guidance literature:

With bromine; AlCl₃;

upstream raw materials:

2,3-cyclopentenopyridine

1-pyrrolidinocyclopent-1-ene

5-bromo-1,2,3-triazine

6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol

Downstream raw materials:

3-bromo-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one

3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol