7-Iodo-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 7-Iodo-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 72299-62-8
• Molecular Formula: C₉H₁₀IN
• Molecular Weight: 259.09
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10415343
• Nikkaji Number: J1.060.916J
• Wikidata: Q27094703
• Pharos Ligand ID: K7PKDFFCUCKZ
• Metabolomics Workbench ID: 148310
• ChEMBL ID: CHEMBL26828
• Mol file: 72299-62-8.mol

Synonyms:7-iodo-1,2,3,4-tetrahydroisoquinoline;72299-62-8;7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;Isoquinoline, 1,2,3,4-tetrahydro-7-iodo-;CHEMBL26828;1n7j;SCHEMBL4330301;BDBM14060;DTXSID10415343;DB03824;tetrahydroisoquinoline (THIQ) deriv. 2;1,2,3,4-Tetrahydro-7-iodo-isoquinoline;PD007208;FT-0729135;Q27094703

Chemical Property of 7-Iodo-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• PSA: 12.03000
• LogP: 2.26570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 258.98580
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99.90% ^*data from raw suppliers

7-IODO-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=CC(=C2)I

Technology Process of 7-Iodo-1,2,3,4-tetrahydroisoquinoline

There total 3 articles about 7-Iodo-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: 87.0%

7-iodo-N-acetyl-1,2,3,4-tetrahydroisoquinoline (220247-65-4) → 7-Iodo-1,2,3,4-tetrahydroisoquinoline (72299-62-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Heating;

DOI:10.1021/jm980429p

Reference yield:

2-acetyl-7-amino-1,2,3,4-tetrahydro-isoquinoline (81885-67-8) → 7-Iodo-1,2,3,4-tetrahydroisoquinoline (72299-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. HCl, aq. NaNO₂, 2.) aq. KI / 1.) 30 min, 2.) CHCl₃, RT, 7 h

2: 87 percent / 3 N HCl / ethanol / 4 h / Heating

With hydrogenchloride; potassium iodide; sodium nitrite; In ethanol;

DOI:10.1021/jm980429p

Reference yield:

→ 7-Iodo-1,2,3,4-tetrahydroisoquinoline (72299-62-8)

Guidance literature:

aus 1,2,3,4-Tetrahydroisochinolin mit I2/AgSO4/H2SO4;

upstream raw materials:

7-iodo-N-acetyl-1,2,3,4-tetrahydroisoquinoline

2-acetyl-7-amino-1,2,3,4-tetrahydro-isoquinoline

Refernces

• 1、 Yu,Wieland,Brown,Beierwaltes. "Synthesis of radiolabeled inhibitors of phenylethanolamine N-methyltransferase". . p. 173 - 173. Retrieved 2007/10/05.