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

Base Information

• Chemical Name: 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS No.: 57196-62-0
• Molecular Formula: C10H13NO^.HCl
• Molecular Weight: 199.6773
• Hs Code.: 2933499090
• European Community (EC) Number: 676-564-2
• DSSTox Substance ID: DTXSID50972647
• Mol file: 57196-62-0.mol

Synonyms:6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride;57196-62-0;6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride;Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-, hydrochloride;MFCD01717328;6-Methoxy-1,2,3,4-tetrahydro-isoquinoline HCl;6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE;6-Methoxy-1,2,3,4-tetrahydroisoquinoline, HCl;6-methoxy-1,2,3,4-tetrahydroisoquinoline HCl;SCHEMBL587493;AMY4036;DTXSID50972647;QIUIKPQXMJJOQT-UHFFFAOYSA-N;CS-M3403;AKOS005254472;SB37727;6-Methoxytetrahydroisoquinoline HCl salt;SY003118;A8157;FT-0678084;VU0407035-2;EN300-236121;J-518829;F3111-0120;6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride salt;6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, AldrichCPR;6-Methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

Chemical Property of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Chemical Property:

• Vapor Pressure: 0.00313mmHg at 25°C
• Melting Point: 230-232.5°C
• Boiling Point: 283.6 °C at 760 mmHg
• Flash Point: 109.2 °C
• PSA: 21.26000
• LogP: 2.47170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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

6-Methoxy-1,2,3,4-tetrahydroisoquinolineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(CNCC2)C=C1.Cl

Technology Process of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

There total 10 articles about 6-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: 92.0%

bis(6-methoxy-N-1,2,3,4-tetrahydroisoquinolinyl)methane (942150-85-8) → 6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (57196-62-0)

Guidance literature:

With hydrogenchloride; In tert-butyl methyl ether; isopropyl alcohol; at 20 ℃; for 22h; Inert atmosphere;

DOI:10.1021/op7000468

Reference yield: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-Methoxyphenethylamine (55-81-2) → 6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (57196-62-0)

Guidance literature:

With hydrogenchloride; In water; for 1.33333h; Heating / reflux;

Reference yield: 61.0%

2-(3-methoxyphenyl)-1-ethanamine (2039-67-0) → 6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (57196-62-0)

Guidance literature:

With formaldehyd;

upstream raw materials:

6-Methoxy-3,4-dihydroisoquinoline

bis(6-methoxy-N-1,2,3,4-tetrahydroisoquinolinyl)methane

N-[2-(3-methoxy-phenyl)-ethyl]-formamide

formaldehyd

Downstream raw materials:

C₂₈H₂₆N₄O₂

C₂₃H₂₃N₃O₃

C₂₄H₂₅N₃O₃

6-methoxy-1,2,3,4-tetrahydro-isoquinoline

Refernces

• 1、 Yang, Su Hui,Song, Chin-Hee,Van, Hue Thi My,Park, Eunsook,Khadka, Daulat Bikram,Gong, Eun-Yeung,Lee, Keesook,Cho, Won-Jea. "SAR based design of nicotinamides as a novel class of androgen receptor antagonists for prostate cancer". supporting information. p. 3414 - 3418. Retrieved 2013/06/05.
• 2、 Zhong, H. Marion,Villani, Frank J.,Marzouq, Ramzy. "Improved and practical synthesis of 6-methoxy-1,2,3,4- tetrahydroisoquinoline hydrochloride". . p. 463 - 465. Retrieved 2012/12/31.