7-Bromo-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 7-Bromo-1,2,3,4-tetrahydroquinoline
• CAS No.: 114744-51-3
• Molecular Formula: C9H10BrN
• Molecular Weight: 212.089
• Hs Code.: 2933491090
• European Community (EC) Number: 674-989-8
• DSSTox Substance ID: DTXSID40551501
• Wikidata: Q72512803
• Mol file: 114744-51-3.mol

Synonyms:7-Bromo-1,2,3,4-tetrahydroquinoline;114744-51-3;QUINOLINE, 7-BROMO-1,2,3,4-TETRAHYDRO-;7-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE;MFCD08544270;7-Bromo-1,2,3,4-tetrahydroquinolinehydrochloride;WEHL-04;SCHEMBL596333;DTXSID40551501;DRVWZEWZXCZNAR-UHFFFAOYSA-N;AMY28935;BCP29584;VT1291;AKOS015998635;PB12525;DS-15666;SY018944;CS-0042152;EN300-316848;J-519097

Chemical Property of 7-Bromo-1,2,3,4-tetrahydroquinoline

Chemical Property:

• Melting Point: 68-69 °C
• Boiling Point: 288.1±29.0 °C(Predicted)
• PKA: 4.22±0.20(Predicted)
• PSA: 12.03000
• Density: 1.428±0.06 g/cm3(Predicted)
• LogP: 3.74720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.99966
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

7-Bromo-1,2,3,4-tetrahydroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2)Br)NC1

Technology Process of 7-Bromo-1,2,3,4-tetrahydroquinoline

There total 7 articles about 7-Bromo-1,2,3,4-tetrahydroquinoline 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%

7-bromoquinoline (4965-36-0) → 1,2,3,4-tetrahydroisoquinoline (635-46-1) + 7-bromo-1,2,3,4-tetrahydroquinoline (114744-51-3)

Guidance literature:

With hydrogen; In toluene; at 150 ℃; for 18h; under 9000.9 Torr; regioselective reaction; Autoclave; Sealed tube;

DOI:10.1021/acscatal.7b04260

Reference yield: 37.0%

7-bromo-3,4-dihydroquinoline-2(1H)-one (14548-51-7) → 7-bromo-1,2,3,4-tetrahydroquinoline (114744-51-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/ml500030p

Reference yield: 34.0%

tert-butyl (3-(4-bromophenyl)propyl)(tosyloxy)carbamate → 7-bromo-1,2,3,4-tetrahydroquinoline (114744-51-3)

Guidance literature:

With ferrous(II) sulfate heptahydrate; trifluoroacetic acid; at 20 ℃; for 16h;

DOI:10.1021/acs.orglett.1c00099

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

6-bromoindan-1-one

7-bromo-3,4-dihydroquinoline-2(1H)-one

7-bromoquinoline

Downstream raw materials:

N-benzyl-7-bromo-1,2,3,4-tetrahydroquinoline

7-bromo-1-(4-fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline

tert-butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate

7-iodo-1,2,3,4-tetrahydroquinoline

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