4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid

Base Information

Chemical Name:4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid
CAS No.:61440-51-5
Molecular Formula:C13H13NO2S
Molecular Weight:247.31300
Hs Code.:
ChEMBL ID:CHEMBL280570
DSSTox Substance ID:DTXSID80517545
Wikidata:Q82379635

Synonyms:61440-51-5;4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid;4-(2-thiophen-2-ylethylamino)benzoic acid;4-((2-(thiophen-2-yl)ethyl)amino)benzoic acid;Benzoic acid, 4-[[2-(2-thienyl)ethyl]amino]-;CHEMBL280570;SCHEMBL11261156;DTXSID80517545;YRQCINPHLQENIA-UHFFFAOYSA-N;AKOS011513773;p-[2-(2-Thienyl)ethylamino]benzoic acid;4-[2-(2-Thienyl)ethylamino]benzoic Acid;CS-0246551;4-{[2-(Thiophen-2-yl)ethyl]amino}benzoicacid;EN300-332907;Z963457362

Suppliers and Price of 4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid

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

AK Scientific
4-{[2-(Thiophen-2-yl)ethyl]amino}benzoicacid
2.5g
$ 1116.00

Total 2 raw suppliers

Chemical Property of 4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid

Chemical Property:

PSA：77.57000
LogP:3.17390
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:247.06669983
Heavy Atom Count:17
Complexity:252

Purity/Quality:

99% ^*data from raw suppliers

4-{[2-(Thiophen-2-yl)ethyl]amino}benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CSC(=C1)CCNC2=CC=C(C=C2)C(=O)O

Technology Process of 4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid

There total 3 articles about 4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid 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: 42.0%

: 61440-50-4
ethyl 4-[2-(thien-2-yl)ethylamino]benzoate

: 61440-51-5
4-[2-(2-Thienyl)ethylamino]benzoic Acid

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1021/jm00364a009

Reference yield:

: 26478-16-0
2-(2-Bromoethyl)thiophene

: 61440-51-5
4-[2-(2-Thienyl)ethylamino]benzoic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 24 percent / hexamethylphosphoric acid triamide / 24 h / 125 °C

2: 42 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol;
DOI:10.1021/jm00364a009

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 61440-51-5
4-[2-(2-Thienyl)ethylamino]benzoic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 24 percent / hexamethylphosphoric acid triamide / 24 h / 125 °C

2: 42 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol;
DOI:10.1021/jm00364a009