1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Base Information

• Chemical Name: 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
• CAS No.: 51452-52-9
• Molecular Formula: C14H22NO3+
• Molecular Weight: 252.3288
• DSSTox Substance ID: DTXSID60965782
• Wikidata: Q82948093
• Mol file: 51452-52-9.mol

Synonyms:DTXSID60965782;1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;51452-52-9

Chemical Property of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Chemical Property:

• Vapor Pressure: 4.98E-07mmHg at 25°C
• Melting Point: 166oC
• Boiling Point: 397.4°Cat760mmHg
• Flash Point: 194.2°C
• PSA: 50.72000
• Density: g/cm³
• LogP: 2.79390
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 252.15996856
• Heavy Atom Count: 18
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

1-(GAMMA-HYDROXYPROPYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C([NH2+]CCC2=C1)CCCO)OC
• Isomeric SMILES: COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)CCCO)OC

Technology Process of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

There total 1 articles about 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium 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:

C19H29NO5 (1334398-48-9) → (-)-1-(3-chloropropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (51452-52-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c4ra10625c

Reference yield:

(-)-1-(3-chloropropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (51452-52-9) → C10H15OPS*C14H19NO2 (1345019-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / diethyl ether; water / 5 h / 20 °C / Inert atmosphere

2: benzene-d6

With sodium hydroxide; In diethyl ether; benzene-d6; water;

DOI:10.1021/jo2017982

Reference yield:

(-)-1-(3-chloropropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (51452-52-9) → C10H15OPS*C14H19NO2 (1345019-56-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / diethyl ether; water / 5 h / 20 °C / Inert atmosphere

2: benzene-d6

With sodium hydroxide; In diethyl ether; benzene-d6; water;

DOI:10.1021/jo2017982

upstream raw materials:

C₁₉H₂₉NO₅

Downstream raw materials:

C₁₀H₁₅OPS*C₁₄H₁₉NO₂

C₁₀H₁₅OPS*C₁₄H₁₉NO₂

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