1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
• CAS No.: 82925-01-7
• Molecular Formula: C19H22N2O4
• Molecular Weight: 342.395
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10439786
• Wikidata: Q72505457
• Mol file: 82925-01-7.mol

Synonyms:82925-01-7;1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-[2-(4-NITROPHENYL)ETHYL]ISOQUINOLINE;6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline;6,7-dimethoxy-2-[2-(4-nitro-phenyl)-ethyl]-1,2,3,4-tetrahydro-isoquinoline;SCHEMBL8789531;DTXSID10439786;AKOS016005132;CS-0006979;FT-0674992;A864323;1,2,3,4-tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-Isoquinoline;6,7-Dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

Chemical Property of 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

Chemical Property:

• Vapor Pressure: 5.52E-10mmHg at 25°C
• Boiling Point: 496.2oC at 760 mmHg
• Flash Point: 253.9oC
• PSA: 67.52000
• Density: 1.199g/cm3
• LogP: 3.67390
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 342.15795719
• Heavy Atom Count: 25
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)[N+](=O)[O-])OC
• Uses: 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline (cas# 82925-01-7) is a compound useful in organic synthesis.

Technology Process of 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

There total 3 articles about 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline 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: 90.57%

(4-nitrophenyl)ethyl bromide (5339-26-4) + 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride (2328-12-3) → 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-isoquinoline (82925-01-7)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Industry scale;

Reference yield: 89.1%

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (1745-07-9) + (4-nitrophenyl)ethyl bromide (5339-26-4) → 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-isoquinoline (82925-01-7)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 70 ℃; for 2.5h;

Reference yield:

2-(4-nitrophenyl)ethanol (100-27-6) → 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-isoquinoline (82925-01-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃ / diethyl ether

2: 14.5 g / K₂CO₃ / dimethylformamide / 6 h / 100 °C

With phosphorus tribromide; potassium carbonate; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1021/jm00013a017

upstream raw materials:

(4-nitrophenyl)ethyl bromide

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride

2-(4-nitrophenyl)ethanol

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

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