1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline

Base Information

• Chemical Name: 1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline
• CAS No.: 7062-97-7
• Molecular Formula: C₄H₈O₂
• Molecular Weight: 88.1063
• DSSTox Substance ID: DTXSID70414271

Synonyms:7062-97-7;1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline;DTXSID70414271;AKOS002663039

Chemical Property of 1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline

Chemical Property:

• Vapor Pressure: 2.01E-12mmHg at 25°C
• Boiling Point: 556.5°Cat760mmHg
• Flash Point: 290.4°C
• Density: 1.462g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 454.03843
• Heavy Atom Count: 26
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC=CC=C2C1C3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Technology Process of 1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline

There total 4 articles about 1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline 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: 71.0%

methoxyacetaldehyde dimethylacetal (24332-20-5) → (Z)-1,2-Dimethoxyethylen (7062-96-6) + (E)-1,2-dimethoxyethene (7062-97-7)

Guidance literature:

With aluminum oxide; at 215 ℃; for 1h; under 22.5023 Torr; Pyrolysis;

DOI:10.1021/ja802060t

Reference yield: 25.0%

(Z)-1,2-Dimethoxyethylen (7062-96-6) → (E)-1,2-dimethoxyethene (7062-97-7)

Guidance literature:

With 1-(3-Methoxyphenyl)ethanone; In benzene; for 4h; Irradiation;

DOI:10.1021/ja00539a019

Reference yield:

1-acetoxy-1,2-dimethoxy-ethane (89534-58-7) → (E)-1,2-dimethoxyethene (7062-97-7)

Guidance literature:

at 162 - 165 ℃;

DOI:10.1007/BF00906156

upstream raw materials:

1-acetoxy-1,2-dimethoxy-ethane

(Z)-1,2-Dimethoxyethylen

methoxyacetaldehyde dimethylacetal

Downstream raw materials:

1-(4-methylphenylsulfonyl)-1-trans,2-trans,3-cis-trimethoxycyclopropane

1-(4-methylphenylsulfonyl)-1,2,3alltrans-trimethoxycyclopropane

5-Acetyl-3,4-dihydro-r-2,t-3-dimethoxy-6-methyl-t-4-phenyl-2H-pyran

5-Acetyl-3,4-dihydro-r-2,t-3-dimethoxy-6-methyl-c-4-phenyl-2H-pyran

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