5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

Base Information

• Chemical Name: 5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
• CAS No.: 94143-83-6
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• Hs Code.: 2934999090
• European Community (EC) Number: 836-256-2
• UNII: YUX7F87VRC
• Nikkaji Number: J306.157D
• ChEMBL ID: CHEMBL4091137
• Mol file: 94143-83-6.mol

Synonyms:5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinoline

Chemical Property of 5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

Chemical Property:

• PSA: 30.49000
• LogP: 1.38980
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=CC3=C(C=C21)OCO3
• Uses: 5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is a reactant used in the synthesis of Crispine-A and Dysoxyline.

Technology Process of 5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

There total 1 articles about 5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]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: 60.0%

5-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (65842-89-9) → 5-methyl-1,3-benzodioxole (7145-99-5) + 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (94143-83-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; for 4h; Heating;

DOI:10.1021/ol990360v

Reference yield: 92.0%

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (94143-83-6) + 4-[6-bromo-1-[(4-methylphenyl)thio]hexyl]-1,2-dimethoxybenzene (167159-57-1) → 6-[6-(3,4-Dimethoxyphenyl)-6-[(4-methylphenyl)thio]-hexyl]-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline

Guidance literature:

With N-ethyl-N,N-diisopropylamine; sodium iodide; In acetonitrile; Heating;

DOI:10.1021/jm9804477

Reference yield: 79.0%

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (94143-83-6) + 2-6-dimethoxybenzoic acid (1466-76-8) → (7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)(2,6-dimethoxyphenyl)methanone

Guidance literature:

2-6-dimethoxybenzoic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; trimethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h; Inert atmosphere;

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.bmc.2018.10.020

upstream raw materials:

5-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

Downstream raw materials:

1,1-Diphenylmethanol

papraline

tetraphenylethane-1,2-diol

norhydrastinine

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