Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

Base Information

Chemical Name:Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate
CAS No.:112798-13-7
Molecular Formula:C14H16N2O2S
Molecular Weight:276.359
Hs Code.:
DSSTox Substance ID:DTXSID70552561
Wikidata:Q82432900

Synonyms:112798-13-7;DTXSID70552561;Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

Suppliers and Price of Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

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
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price

Total 1 raw suppliers

Chemical Property of Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:276.09324893
Heavy Atom Count:19
Complexity:301

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CSC1=CC=CN1C2=CC=CC=C2N

Technology Process of Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

There total 5 articles about Ethyl {[1-(2-aminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate 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: 37.0%

: ethyl 2-{[1-(2-nitrophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

: ethyl 2-{[1-(2-hydroxylaminophenyl)-1H-pyrrol-2-yl]sulfanyl}acetate

: 112798-13-7
Ethyl acetate

Guidance literature:: With ammonium chloride; zinc; In ethanol; water; at 20 ℃; for 1.5h;
DOI:10.1016/j.tet.2004.07.036

Reference yield:

: 87573-98-6
1-(2-nitrophenyl)-2-thiocyanato-1H-pyrrole

: 112798-13-7
Ethyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium borohydride; sodium hydroxide / ethanol / 20 °C

1.2: 49 percent / ethanol

2.1: 37 percent / zinc; ammonium chloride / ethanol; H₂O / 1.5 h / 20 °C

With sodium hydroxide; sodium tetrahydroborate; ammonium chloride; zinc; In ethanol; water;
DOI:10.1016/j.tet.2004.07.036

Reference yield:

: 6025-60-1
2-(1H-pyrrol-1-yl)aniline

: 112798-13-7
Ethyl acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 62 percent / acetic acid / 16 h / Ambient temperature

2: 67 percent / ethanol / 24 h / 0 - 7 °C

3: 1.) NaBH₄ / 1.) C₂H₅OH, room temp. 1 h, acetone, 1 h 2.) 65 deg C, 45 min

With sodium tetrahydroborate; In ethanol; acetic acid;