5-Bromo-5,6,7,8-tetrahydroquinoxaline

Base Information

• Chemical Name: 5-Bromo-5,6,7,8-tetrahydroquinoxaline
• CAS No.: 528852-07-5
• Molecular Formula: C8H9BrN2
• Molecular Weight: 213.077
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20590170
• Mol file: 528852-07-5.mol

Synonyms:5-Bromo-5,6,7,8-tetrahydroquinoxaline;528852-07-5;SCHEMBL1218249;DTXSID20590170;STQQSKCWKJEUEH-UHFFFAOYSA-N;DA-37729

Chemical Property of 5-Bromo-5,6,7,8-tetrahydroquinoxaline

Chemical Property:

• PSA: 25.78000
• LogP: 2.24890
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.99491
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99%,98%, ^*data from raw suppliers

5-BROMO-5,6,7,8-TETRAHYDROQUINOXALINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=NC=CN=C2C1)Br

Technology Process of 5-Bromo-5,6,7,8-tetrahydroquinoxaline

There total 4 articles about 5-Bromo-5,6,7,8-tetrahydroquinoxaline 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: 86.0%

5,6,7,8-tetrahydroquinoxaline (34413-35-9) → 5,8-dibromo-5,6,7,8-tetrahydroquinoxaline + 5,5,8-tribromo-5,6,7,8-tetrahydroquinoxaline + (R,S)-5-bromo-5,6,7,8-tetrahydroquinoxaline (528852-07-5)

Guidance literature:

With bromine; In acetonitrile; for 2h; Reflux; Inert atmosphere;

DOI:10.1016/j.tet.2017.02.014

Reference yield: 82.0%

5,6,7,8-tetrahydroquinoxaline (34413-35-9) → 5,8-dibromo-5,6,7,8-tetrahydroquinoxaline + (R,S)-5-bromo-5,6,7,8-tetrahydroquinoxaline (528852-07-5)

Guidance literature:

With bromine; In acetonitrile; for 2h; Reagent/catalyst; Solvent; Reflux; Inert atmosphere;

DOI:10.1016/j.tet.2017.02.014

Reference yield: 54.0%

N-bromosuccinamide + 5,6,7,8-tetrahydroquinoxaline (34413-35-9) → (R,S)-5-bromo-5,6,7,8-tetrahydroquinoxaline (528852-07-5)

Guidance literature:

With sodium hydrogencarbonate; dibenzoyl peroxide; In CCl₄; ethyl acetate;

upstream raw materials:

5,6,7,8-tetrahydroquinoxaline

Downstream raw materials:

5,6,7,8-tetrahydroquinoxalin-5-ylamine

2,3-diethynylquinoxaline

2,3-dibromo-quinoxaline

2-bromo-quinoxaline