Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Base Information

• Chemical Name: Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
• CAS No.: 68950-07-2
• Molecular Formula: C16H13NO4
• Molecular Weight: 283.2787
• NSC Number: 131466
• UNII: O6Y2PZ4AA6
• DSSTox Substance ID: DTXSID60219010
• Nikkaji Number: J1.921.203C
• Wikidata: Q83095905

Synonyms:68950-07-2;Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate;Dimethyl pyrrolo(2,1-a)isoquinoline-1,2-dicarboxylate;NSC131466;O6Y2PZ4AA6;NSC-131466;NSC 131466;UNII-O6Y2PZ4AA6;DTXSID60219010;PYRROLO(2,1-A)ISOQUINOLINE-1,2-DICARBOXYLIC ACID, DIMETHYL ESTER;PYRROLO(2,1-A)ISOQUINOLINE-1,2-DICARBOXYLIC ACID, 1,2-DIMETHYL ESTER

Chemical Property of Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Chemical Property:

• Density: 1.28g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.08445790
• Heavy Atom Count: 21
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN2C=CC3=CC=CC=C3C2=C1C(=O)OC

Technology Process of Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

There total 7 articles about Dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate 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: 77.0%

dimethyl acetylenedicarboxylate (762-42-5) + N-(Carboxymethyl)isoquinolinium chloride → Dimethyl 7,8-benzoindolizine-1,2-dicarboxylate (68950-07-2)

Guidance literature:

With triethylamine; In toluene; at 90 ℃; for 2h;

DOI:10.1055/s-2000-8195

Reference yield: 69.0%

dimethyl acetylenedicarboxylate (762-42-5) + 2-trimethylsilanylmethyl-2H-isoquinolin-1-one → Dimethyl 7,8-benzoindolizine-1,2-dicarboxylate (68950-07-2)

Guidance literature:

In benzene; at 180 ℃; for 6h;

DOI:10.1055/s-2003-40188

Reference yield: 33.0%

2-methylthioimidazo<2,1-a>isoquinoline (104169-24-6) + dimethyl acetylenedicarboxylate (762-42-5) → Dimethyl 7,8-benzoindolizine-1,2-dicarboxylate (68950-07-2) + ethyl 3-(α,β-dimethoxycarbonylvinyl)imidazo<2,1-a>isoquinoline-3-carboxylate (117290-96-7) + dimethyl 2-methylthio-1-azabenzocycl<3,2,2>azine-3,4-dicarboxylate (104169-25-7) + tetramethyl 1,11b-dihydro-2-methylthio-1-azabenzocycl<4.3.2>azine-3,4,5,6-tetracarboxylate (117290-97-8)

Guidance literature:

With palladium on activated charcoal; In toluene; for 30h; Heating;

upstream raw materials:

2-methylthioimidazo<2,1-a>isoquinoline

dimethyl acetylenedicarboxylate

isoquinoline

ethyl 2-methylthioimidazo<2,1-a>isoquinoline-3-carboxylate

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