2-Nitroso-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 2-Nitroso-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 17721-96-9
• Molecular Formula: C₉H₁₀N₂O
• Molecular Weight: 162.191
• European Community (EC) Number: 877-094-2
• Nikkaji Number: J1.890.103J
• Mol file: 17721-96-9.mol

Synonyms:2-nitroso-1,2,3,4-tetrahydroisoquinoline;17721-96-9;2-nitroso-3,4-dihydro-1H-isoquinoline;1,2,3,4-tetrahydro-2-nitrosoisoquinoline;SCHEMBL1025209;SOAWVSWBUWHPOP-UHFFFAOYSA-N;AKOS032947943;N-nitroso-1,2,3,4-tetrahydroisoquinoline;FT-0729772;EN300-298371

Chemical Property of 2-Nitroso-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Melting Point: 48-50 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 341.2±31.0 °C(Predicted)
• PKA: -4.66±0.20(Predicted)
• PSA: 32.67000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.66400
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3,4-tetrahydro-2-nitroso-Isoquinoline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)N=O

Technology Process of 2-Nitroso-1,2,3,4-tetrahydroisoquinoline

There total 5 articles about 2-Nitroso-1,2,3,4-tetrahydroisoquinoline 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%

1,2,3,4-tetrahydroisoquinoline (14099-81-1) → 2-nitroso-1,2,3,4-tetrahydroisoquinoline (17721-96-9)

Guidance literature:

With sodium nitrate; In water; acetic acid; for 2h; Ambient temperature;

Reference yield: 91.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) → 2-nitroso-1,2,3,4-tetrahydroisoquinoline (17721-96-9)

Guidance literature:

With bismuth(III) chloride; sodium nitrite; In dichloromethane; at 20 ℃; for 0.5h; chemoselective reaction;

DOI:10.1080/00397910802413881

Reference yield: 86.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) + 3,4-Dinitrofurazan (155438-30-5) → 2-nitroso-1,2,3,4-tetrahydroisoquinoline (17721-96-9) + 2-(4-nitro-furazan-3-yl)-1,2,3,4-tetrahydro-isoquinoline

Guidance literature:

With sodium persulfate; sodium carbonate; In water; at 0 - 20 ℃; for 3h;

DOI:10.1023/B:RUCB.0000035644.16331.f0

upstream raw materials:

decahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline

3,4-Dinitrofurazan

Downstream raw materials:

2-benzylideneamino-1,2,3,4-tetrahydroisoquinoline

2-p-Toluenesulfonamido-1,2,3,4-tetrahydroisoquinoline

2-(p-nitrobenzylideneamino)-1,2,3,4-tetrahydroisoquinoline

N-methyl-3,4-dihydroisoquinolin-2(1H)-amine