5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Base Information

• Chemical Name: 5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS No.: 103030-69-9
• Molecular Formula: C10H13NO^.HCl
• Molecular Weight: 199.68
• Hs Code.: 2933499090
• European Community (EC) Number: 823-518-6
• DSSTox Substance ID: DTXSID40553060
• Mol file: 103030-69-9.mol

Synonyms:103030-69-9;5-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE;5-Methoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride;5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride;MFCD08752232;GBWPQBYOAUWWLS-UHFFFAOYSA-N;SCHEMBL1124611;5-methoxy-1,2,3,4-tetrahydro-isoquinolinehydrochloride;DTXSID40553060;AKOS015909156;SB30280;CS-15831;SY150151;CS-0047669;5-Methoxy-1,2,3,4-tetrahydroisoquinoline HCl;A20013;D70865;EN300-131462;Z1891775818;5-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE;5-Methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

Chemical Property of 5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Melting Point: 234.9-236.0 °C
• Boiling Point: 326.5 °C at 760 mmHg
• Flash Point: 151.2 °C
• PSA: 21.26000
• LogP: 2.47170
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.0763918
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

5-Methoxy-1,2,3,4-tetrahydro-isoquinolinehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1CCNC2.Cl
• Use Description: 5-Methoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride is a chemical compound with versatile applications across various fields. In the pharmaceutical industry, it serves as a key intermediate in the synthesis of a wide range of pharmaceutical compounds, contributing significantly to drug development and manufacturing processes. This compound plays a crucial role in the creation of medicines targeting neurological disorders and psychiatric conditions due to its structural significance. In organic chemistry research, it acts as a valuable building block for the synthesis of complex organic molecules, facilitating the development of novel materials, catalysts, and specialty chemicals. Additionally, in academic and industrial laboratories, 5-Methoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride is employed as a reference material and a substrate for studying reaction mechanisms, enabling advancements in synthetic chemistry and chemical research. Its multifaceted contributions highlight its importance in pharmaceuticals, chemical research, and academia, driving progress and innovation in these diverse fields.

Technology Process of 5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

There total 6 articles about 5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 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: 96.0%

N-(methoxycarbonyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline (110192-24-0) → 5-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (103030-69-9)

Guidance literature:

With hydrogenchloride; for 20h; Heating;

DOI:10.1021/jm00395a006

Reference yield: 73.0%

1-(5-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one → 5-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (103030-69-9)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield:

5-hydroxyisoquinoline (2439-04-5) → 5-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (103030-69-9)

Guidance literature:

Multi-step reaction with 5 steps

1: 920 mg / H₂, HCl(g) / PtO₂ / methanol / 3 h / 2327.2 Torr

2: 72 percent / Et₃N / 10 h / Ambient temperature

3: 95 percent / K₂CO₃ / methanol; H₂O / 12 h / Ambient temperature

4: 93 percent / K₂CO₃ / acetone / 12 h / Heating

5: 96 percent / 3 N aq. HCl / 20 h / Heating

With hydrogenchloride; hydrogen; potassium carbonate; triethylamine; platinum(IV) oxide; In methanol; water; acetone;

DOI:10.1021/jm00395a006

upstream raw materials:

N-(methoxycarbonyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline

N-methoxycarbonyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline

N,O-bis(methoxycarbonyl)-5-hydroxy-1,2,3,4-tetrahydroisoquinoline

5-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Refernces

• 1、 -. "TETRAHYDROISOQUINOLINES AS ALPHA-2 ANTAGONISTS AND BIOGENIC AMINE UPTAKE INHIBITORS". . . Retrieved 2008/06/13.