9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline

Base Information

• Chemical Name: 9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline
• CAS No.: 70173-54-5
• Molecular Formula: C12H14 Br N
• Molecular Weight: 252.1503
• Hs Code.: 29339900
• European Community (EC) Number: 800-763-7
• DSSTox Substance ID: DTXSID20373703
• Nikkaji Number: J2.702.399A
• Wikidata: Q82161995
• Mol file: 70173-54-5.mol

Synonyms:70173-54-5;4-Bromojulolidine;9-Bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline;9-bromo-julolidine;9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline;4-Bromo-julolidine;9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZINE;7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;SCHEMBL5470276;PVTRKHJBWSTNOI-UHFFFAOYSA-;DTXSID20373703;TQP0178;VCA17354;MFCD03001720;AKOS015897020;AS-38546;A9268;CS-0130483;FT-0641271;9-bromo-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline;InChI=1/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2

Chemical Property of 9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline

Chemical Property:

• Appearance/Colour: White Crystalline
• Vapor Pressure: 6.4E-06mmHg at 25°C
• Melting Point: 155 °C
• Boiling Point: 378.2 °C at 760 mmHg
• Flash Point: 182.5 °C
• PSA: 3.24000
• Density: 1.48 g/cm³
• LogP: 3.21290
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 251.03096
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

9-Bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-IJ]quinoline ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)Br

Technology Process of 9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline

There total 5 articles about 9-Bromo-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline 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: 94.0%

julolidine (479-59-4) → 9-bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline (70173-54-5)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; for 4.5h;

Reference yield:

1,2,3,4-tetrahydroisoquinoline (635-46-1) → 9-bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline (70173-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate

2: N-Bromosuccinimide / acetonitrile / 3 h / 0 - 20 °C

With N-Bromosuccinimide; sodium carbonate; In acetonitrile;

DOI:10.1002/ejoc.201100891

Reference yield:

N-crotyljulolidinium bromide (76859-18-2) → 9-bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline (70173-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 7.0 percent Chromat_. / glycerol; H₂O / 2 h / 140 °C / NaHCO₃, rearrangement

2: 94 percent / NBS / dimethylformamide / 4.5 h

With N-Bromosuccinimide; In water; N,N-dimethyl-formamide; glycerol;

upstream raw materials:

julolidine

4-Allyl-9-bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium; bromide

N-crotyljulolidinium bromide

1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

1,2-Bis-(julolidyl)-ethan-1,2-dion

[4-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)benzylidene]propanedinitrile

4-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)benzaldehyde