Methyl 3-(1H-pyrrol-1-yl)benzeneacetate

Base Information

Chemical Name:Methyl 3-(1H-pyrrol-1-yl)benzeneacetate
CAS No.:112575-85-6
Molecular Formula:C13H13NO2
Molecular Weight:215.24800
Hs Code.:
DSSTox Substance ID:DTXSID101281523
Mol file:112575-85-6.mol

Synonyms:Methyl 3-(1H-pyrrol-1-yl)benzeneacetate;SCHEMBL9743046;DTXSID101281523;112575-85-6

Suppliers and Price of Methyl 3-(1H-pyrrol-1-yl)benzeneacetate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
METHYL-3-PYRROL-1-YLPHENYL ACETATE 95.00%
5MG
$ 502.62

Total 1 raw suppliers

Chemical Property of Methyl 3-(1H-pyrrol-1-yl)benzeneacetate

Chemical Property:

PSA：31.23000
LogP:2.19280
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:236

Purity/Quality:: METHYL-3-PYRROL-1-YLPHENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1=CC(=CC=C1)N2C=CC=C2

Technology Process of Methyl 3-(1H-pyrrol-1-yl)benzeneacetate

There total 6 articles about Methyl 3-(1H-pyrrol-1-yl)benzeneacetate 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%

: 67-56-1
methanol

: 112575-87-8
3-pyrrol-1-ylphenylacetic acid

: 112575-85-6
methyl 3-pyrrol-1-ylphenylacetate

Guidance literature:: With sulfuric acid; for 12h; Heating;
DOI:10.1021/jm00399a021

Reference yield:

: 4518-10-9
Methyl 3-aminobenzoate

: 112575-85-6
methyl 3-pyrrol-1-ylphenylacetate

Guidance literature:: Multi-step reaction with 6 steps

1: 65 percent / glacial acetic acid / 0.5 h / Heating

2: 73 percent / lithium aluminum hydride / diethyl ether / 3 h / Heating

3: 95 percent / phosphorus tribromide / diethyl ether / 4 h / Heating

4: 65 percent / aq. ethanol / 3 h / Heating

5: 71 percent / potassium hydroxide, ethylene glycol / 6 h / 160 °C

6: 81 percent / conc. sulfuric acid / 12 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; sulfuric acid; phosphorus tribromide; ethylene glycol; acetic acid; In diethyl ether; ethanol;
DOI:10.1021/jm00399a021

Reference yield:

: 83140-94-7
(3-(1H-pyrrol-1-yl)phenyl)methanol

: 112575-85-6
methyl 3-pyrrol-1-ylphenylacetate

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / phosphorus tribromide / diethyl ether / 4 h / Heating

2: 65 percent / aq. ethanol / 3 h / Heating

3: 71 percent / potassium hydroxide, ethylene glycol / 6 h / 160 °C

4: 81 percent / conc. sulfuric acid / 12 h / Heating

With potassium hydroxide; sulfuric acid; phosphorus tribromide; ethylene glycol; In diethyl ether; ethanol;
DOI:10.1021/jm00399a021