6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Base Information

• Chemical Name: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS No.: 2328-12-3
• Molecular Formula: C11H16ClNO2
• Molecular Weight: 229.707
• Hs Code.: 29334900
• European Community (EC) Number: 607-218-0
• NSC Number: 18443
• DSSTox Substance ID: DTXSID30945970
• Mol file: 2328-12-3.mol

Synonyms:6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride;2328-12-3;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride;MFCD00012744;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, HCl;ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, HYDROCHLORIDE;6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolinehydrochloride;6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline,hydrochloride;SCHEMBL915156;DTXSID30945970;CHEBI:194745;1,2,3,4-tetrahydro-6,7-dimethoxy-isoquinoline hydrochloride;NSC18443;NSC-18443;AKOS008967757;CS-W002076;PS-7727;WLN: T66 CMT&J HO1 IO1 &GH;SY018789;AM20060236;D2472;FT-0620857;EN300-17866;6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hcl;J-015064;J-518165;Q-102328;6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline HCl;F2167-0008;6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline HCl Salt;6,7-dimethoxy-1,2,3,4tetrahydroisoquinoline hydrochloride;6,7-Dimethoxy-1,2,3,4tetrahydroisoquinolinehydrochloride;6,7dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride;6,7-dimethoxy-1,2,3,4 -tetrahydroisoquinoline hydrochloride;Isoquinoline,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride;Isoquinoline,7-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 97%;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1);Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)

Chemical Property of 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Chemical Property:

• Appearance/Colour: white to slightly beige shiny flakes
• Vapor Pressure: 0.000451mmHg at 25°C
• Melting Point: 260-265 °C(lit.)
• Boiling Point: 314.9 °C at 760 mmHg
• Flash Point: 124.7 °C
• PSA: 30.49000
• Density: 1.071g/cm³
• LogP: 2.48030
• Storage Temp.: Store below +30°C.
• Solubility.: soluble25mg/mL, clear, colorless (1N NaOH in methanol)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

HeliamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C2CNCCC2=C1)OC.Cl
• Uses: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride has been used as starting material for the synthesis of more complex isoquinolines and quinolizidines.

Technology Process of 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

There total 5 articles about 6,7-Dimethoxy-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: 88.0%

Dimethoxymethane (109-87-5) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride (2328-12-3)

Guidance literature:

With hydrogenchloride; In water; for 8h; Heating;

Reference yield: 68.7%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride (2328-12-3)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1016/j.bmcl.2006.08.001

Reference yield:

bis(N-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)methane (26259-07-4) → 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride (2328-12-3)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 20 ℃; for 18h;

upstream raw materials:

formaldehyd

2-(3,4-dimethoxyphenyl)-ethylamine

Dimethoxymethane

bis(N-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)methane

Downstream raw materials:

1-(3,4-dimethoxyphenyl)-2-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)ethanone

2-(biphenyl-4-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

carbamic chloride

(1R,2R)-N-(1-cyanocyclopropyl)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]cyclohexanecarboxamide

Refernces

• 1、 Qiu, Qianqian,Zou, Feng,Li, Huilan,Shi, Wei,Zhou, Daoguang,Zhang, Ping,Li, Teng,Yin, Ziyu,Cai, Zilong,Jiang, Yuxuan,Huang, Wenlong,Qian, Hai. "Structure-Based Discovery of Pyrimidine Aminobenzene Derivatives as Potent Oral Reversal Agents against P-gp- And BCRP-Mediated Multidrug Resistance". . p. 6179 - 6197. Retrieved 2021/06/01.
• 2、 Kairuki,Qiu, Qianqian,Pan, Miaobo,Li,Zhou,Ghaleb, Hesham,Huang, Wenlong,Qian, Hai,Jiang. "Designed P-glycoprotein inhibitors with triazol-tetrahydroisoquinoline-core increase doxorubicin-induced mortality in multidrug resistant K562/A02 cells". . p. 3347 - 3357. Retrieved 2019/06/17.