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

Base Information

• Chemical Name: 6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS No.: 63905-65-7
• Molecular Formula: C₁₃H₁₉NO₂*ClH
• Molecular Weight: 257.76
• Hs Code.: 2933499090
• NSC Number: 26634
• Mol file: 63905-65-7.mol

Synonyms:6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride;63905-65-7;6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride;SCHEMBL5791299;GXDZORNOMJIKNT-UHFFFAOYSA-N;NSC26634;NSC-26634;AKOS009017381;CS-0234346;EN300-14101;A867994;SR-01000073166;SR-01000073166-1;Z96092064;Isoquinoline,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride;6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 6.91E-05mmHg at 25°C
• Melting Point: 275-277oC
• Boiling Point: 343.7°Cat760mmHg
• Flash Point: 140.7°C
• PSA: 30.49000
• Density: g/cm³
• LogP: 3.26050
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.1182566
• Heavy Atom Count: 17
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 36/37/38-22-50
• Safety Statements: 37/39-26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C2CNCCC2=C1)OCC.Cl

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

There total 2 articles about 6,7-Diethoxy-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:

3-(3,4-diethoxy-phenyl)-propionic acid amide (857792-10-0) → 6,7-diethoxy-1,2,3,4-tetrahydro-isoquinoline; hydrochloride (63905-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hypochlorite

2: water / und Erwaermen des Reaktionsprodukts mit wss. Salzsaeure

With sodium hypochlorite; water;

DOI:10.1021/ja01283a038

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-(3,4-diethoxyphenyl)ethylamine (61381-04-2) → 6,7-diethoxy-1,2,3,4-tetrahydro-isoquinoline; hydrochloride (63905-65-7)

Guidance literature:

With water; und Erwaermen des Reaktionsprodukts mit wss. Salzsaeure;

DOI:10.1021/ja01283a038

Reference yield:

8-bromo-octanoic acid benzyloxy-amide (439940-89-3) + 6,7-diethoxy-1,2,3,4-tetrahydro-isoquinoline; hydrochloride (63905-65-7) → 8-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-octanoic acid benzyloxyamide (439940-94-0)

Guidance literature:

potassium carbonate; N,N-dimethyl-formamide;

upstream raw materials:

formaldehyd

2-(3,4-diethoxyphenyl)ethylamine

3-(3,4-diethoxy-phenyl)-propionic acid amide

Downstream raw materials:

8-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-octanoic acid benzyloxyamide