Dimethyl 2-(1H-pyrrol-1-yl)benzene-1,3-dicarboxylate

Base Information

Chemical Name:Dimethyl 2-(1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
CAS No.:89207-99-8
Molecular Formula:C14H13NO4
Molecular Weight:259.262
Hs Code.:
DSSTox Substance ID:DTXSID90518821
Wikidata:Q82381647

Synonyms:89207-99-8;SCHEMBL2158508;Dimethyl 2-(1H-pyrrol-1-yl)benzene-1,3-dicarboxylate;DTXSID90518821;CSKUDWLQHLQTBA-UHFFFAOYSA-N;2-pyrrol-1-ylisophthalic acid dimethyl ester

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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 2-(1H-pyrrol-1-yl)benzene-1,3-dicarboxylate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:259.08445790
Heavy Atom Count:19
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C(=CC=C1)C(=O)OC)N2C=CC=C2

Technology Process of Dimethyl 2-(1H-pyrrol-1-yl)benzene-1,3-dicarboxylate

There total 1 articles about Dimethyl 2-(1H-pyrrol-1-yl)benzene-1,3-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: 68.0%

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 57053-02-8
dimethyl 2-amino-1,3-benzenedicarboxylate

: 89207-99-8
2-(1-Pyrrolyl)isophtalsaeure-dimethylester

Guidance literature:: In acetic acid; for 2h; Heating;
DOI:10.1002/hlca.19830660724

Reference yield: 92.0%

: 89207-99-8
2-(1-Pyrrolyl)isophtalsaeure-dimethylester

: 89208-00-4
2-(1-Pyrrolyl)benzol-1,3-dimethanol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; for 24h; Heating;
DOI:10.1002/hlca.19830660724

Reference yield:

: 89207-99-8
2-(1-Pyrrolyl)isophtalsaeure-dimethylester

: 1201747-07-0
9-oxo-9H-pyrrolo[1,2-a]indole-5-carboxylic acid (2-amino-4-fluorophenyl)amide

Guidance literature:: Multi-step reaction with 3 steps

1.1: boron tribromide / dichloromethane / 2 h / 20 °C

2.1: water; lithium hydroxide monohydrate / methanol / 3 h / Reflux

2.2: pH 3

3.1: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

3.2: 72 h

With lithium hydroxide monohydrate; water; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; boron tribromide; In tetrahydrofuran; methanol; dichloromethane;