6-Bromo-2-chloro-3-(3-chloropropyl)quinoline

Base Information

• Chemical Name: 6-Bromo-2-chloro-3-(3-chloropropyl)quinoline
• CAS No.: 612494-85-6
• Molecular Formula: C₁₂H₁₀BrCl₂N
• Molecular Weight: 319.028
• Hs Code.: 2933499090
• European Community (EC) Number: 804-015-0
• DSSTox Substance ID: DTXSID70457749
• Wikidata: Q82280724
• Mol file: 612494-85-6.mol

Synonyms:6-bromo-2-chloro-3-(3-chloropropyl)quinoline;612494-85-6;Quinoline, 6-bromo-2-chloro-3-(3-chloropropyl)-;SCHEMBL8353989;DTXSID70457749;MFCD09030009;AKOS015899044;AB49307;6-Bromo-2-chloro-3-(3-chloro-propyl)-;CS-0367411;FT-0711714;6-Bromo-2-chloro-3-(3-chloropropyl)quinoline, AldrichCPR

Chemical Property of 6-Bromo-2-chloro-3-(3-chloropropyl)quinoline

Chemical Property:

• Vapor Pressure: 1.42E-06mmHg at 25°C
• Boiling Point: 410.5oC at 760 mmHg
• PKA: -0.49±0.50(Predicted)
• Flash Point: 202.1oC
• PSA: 12.89000
• Density: 1.551g/cm3
• LogP: 4.82210
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 316.93737
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

6-Bromo-2-chloro-3-(3-chloropropyl)quinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC(=C(C=C2C=C1Br)CCCCl)Cl
• Uses: 6-Bromo-2-chloro-3-(3-chloropropyl)quinoline is a reagent that is used in the preparation of competitive antagonists for the metabotropic glutamate receptor mGluR1.

Technology Process of 6-Bromo-2-chloro-3-(3-chloropropyl)quinoline

There total 1 articles about 6-Bromo-2-chloro-3-(3-chloropropyl)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:

N-(4-Bromophenyl)-5-chloropentanamide (27471-42-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-bromo-2-chloro-3-(3-chloropropyl)quinoline (612494-85-6)

Guidance literature:

With trichlorophosphate; at 75 ℃; for 6h;

DOI:10.1021/jm049499o

Reference yield: 28.0%

6-bromo-2-chloro-3-(3-chloropropyl)quinoline (612494-85-6) → 7-bromo-3,4-dihydro-2H-pyrano[2,3-b]quinoline (612494-86-7) + 6-bromo-3-(3-chloro-propyl)-1H-quinolin-2-one

Guidance literature:

With hydrogenchloride; for 10h; Heating;

DOI:10.1021/jm049499o

Reference yield:

6-bromo-2-chloro-3-(3-chloropropyl)quinoline (612494-85-6) → 1-(3,4-dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-3-phenyl-propan-1-one

Guidance literature:

Multi-step reaction with 2 steps

1.1: 28 percent / aq. HCl / 10 h / Heating

2.1: n-BuLi / hexane; tetrahydrofuran / -70 - -20 °C

2.2: 38 percent / tetrahydrofuran; hexane / -70 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;

DOI:10.1021/jm049499o

upstream raw materials:

N-(4-Bromophenyl)-5-chloropentanamide

N,N-dimethyl-formamide

Downstream raw materials:

7-bromo-3,4-dihydro-2H-pyrano[2,3-b]quinoline

JNJ-16259685

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