Ethyl 2-(1H-pyrrol-1-YL)benzoate

Base Information

Chemical Name:Ethyl 2-(1H-pyrrol-1-YL)benzoate
CAS No.:78540-08-6
Molecular Formula:C13H13 N O2
Molecular Weight:215.252
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60506432
Wikidata:Q82362161
Mol file:78540-08-6.mol

Synonyms:78540-08-6;ETHYL 2-(1H-PYRROL-1-YL)BENZOATE;ETHYL 2-PYRROL-1-YL-BENZATE;ethyl 2-pyrrol-1-ylbenzoate;2-PYRROL-1-YL-BENZOIC ACID ETHYL ESTER;ETHYL2-PYRROL-1-YL-BENZATE;SCHEMBL2209512;DTXSID60506432;PJRVHTKUFNCDJR-UHFFFAOYSA-N;MFCD04115121;AB19667;ETHYL2-(1H-PYRROL-1-YL)BENZOATE;CS-0342031;A839443

Suppliers and Price of Ethyl 2-(1H-pyrrol-1-YL)benzoate

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

TRC
Ethyl2-Pyrrol-1-yl-benzate
500mg
$ 175.00

Rieke Metals
2-Pyrrol-1-yl-benzoicacidethylester
5g
$ 1728.00

Rieke Metals
2-Pyrrol-1-yl-benzoicacidethylester
1g
$ 661.00

J&W Pharmlab
Ethyl2-pyrrol-1-yl-benzate 96%
25g
$ 12990.00

J&W Pharmlab
Ethyl2-pyrrol-1-yl-benzate 96%
250mg
$ 325.00

Crysdot
Ethyl2-(1H-pyrrol-1-yl)benzoate 95+%
5g
$ 564.00

Chemenu
Ethyl2-pyrrol-1-yl-benzate 95%
5g
$ 533.00

American Custom Chemicals Corporation
ETHYL-2-PYRROL-1-YL-BENZATE 98.00%
5MG
$ 496.47

Total 13 raw suppliers

Chemical Property of Ethyl 2-(1H-pyrrol-1-YL)benzoate

Chemical Property:

PSA：31.23000
LogP:2.65400
XLogP3:3.2
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:

97% ^*data from raw suppliers

Ethyl2-Pyrrol-1-yl-benzate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=CC=C1N2C=CC=C2
Uses Ethyl 2-pyrrol-1-yl-benzate is used as a reactant in the synthesis of 3,5-disubstituted isoxazoles.

Technology Process of Ethyl 2-(1H-pyrrol-1-YL)benzoate

There total 2 articles about Ethyl 2-(1H-pyrrol-1-YL)benzoate 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: 52.0%

: 541-41-3
chloroformic acid ethyl ester

: 2'-lithio-1-phenylpyrrole

: 78540-08-6
ethyl 2-(pyrrol-1-yl)benzoate

Guidance literature:: In tetrahydrofuran; at -80 ℃; for 1h;
DOI:10.1016/S0022-328X(00)85520-5

Reference yield:

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

: 87-25-2
2-ethoxycarbonylaniline

: 78540-08-6
ethyl 2-(pyrrol-1-yl)benzoate

Guidance literature:: With acetic acid; for 2h; Heating / reflux;

Reference yield: 94.0%

: 78540-08-6
ethyl 2-(pyrrol-1-yl)benzoate

: 61034-86-4
2-(pyrrol-1-yl)-benzyl alcohol

Guidance literature:: ethyl 2-(pyrrol-1-yl)benzoate; With Red-Al; In toluene; at 35 - 45 ℃; for 1h;

With hydrogenchloride; In water; at 0 ℃;