Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Base Information

Chemical Name:Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate
CAS No.:52414-93-4
Molecular Formula:C₂₂H₁₆N₂O₅
Molecular Weight:388.379
Hs Code.:
DSSTox Substance ID:DTXSID50359712
Nikkaji Number:J1.410.761D
Wikidata:Q82141023

Synonyms:dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate;52414-93-4;DTXSID50359712

Suppliers and Price of Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:388.10592162
Heavy Atom Count:29
Complexity:647

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OC)C(=O)C4=CC=CC=C4

Technology Process of Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

There total 7 articles about Dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-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: 81.0%

: 23055-10-9
1,4-dimethyl but-2-enedioate

: N-phenacyl-phthalazinium bromide

: 52414-93-4
dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Guidance literature:: With tetrakis-pyridinecobalt(II) dichromate; triethylamine; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 3h;
DOI:10.1002/jhet.5570370524

Reference yield:

: 2-(2-oxo-2-phenyl-ethyl)-phthalazinium

: 52414-93-4
dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / methanol / 0 °C

2: 100 percent / Et₃N / CDCl₃ / 20 °C

3: acetic acid / Heating

With triethylamine; In methanol; chloroform-d1; acetic acid;
DOI:10.1016/S0040-4039(01)01803-2

Reference yield:

: 762-42-5
dimethyl acetylenedicarboxylate

: 52414-93-4
dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / methanol / 0 °C

2: 100 percent / Et₃N / CDCl₃ / 20 °C

3: acetic acid / Heating

With triethylamine; In methanol; chloroform-d1; acetic acid;
DOI:10.1016/S0040-4039(01)01803-2