2-(2-Aminoethyl)-5-nitrobenzoic acid

Base Information

Chemical Name:2-(2-Aminoethyl)-5-nitrobenzoic acid
CAS No.:62541-66-6
Molecular Formula:C9H10N2O4
Molecular Weight:210.18700
Hs Code.:
DSSTox Substance ID:DTXSID30522442
Wikidata:Q82387703

Synonyms:2-(2-aminoethyl)-5-nitrobenzoic acid;62541-66-6;Benzoic acid, 2-(2-aminoethyl)-5-nitro-;SCHEMBL11622455;DTXSID30522442

Suppliers and Price of 2-(2-Aminoethyl)-5-nitrobenzoic 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
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Total 1 raw suppliers

Chemical Property of 2-(2-Aminoethyl)-5-nitrobenzoic acid

Chemical Property:

PSA：109.14000
LogP:2.01770
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:210.06405680
Heavy Atom Count:15
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)CCN

Technology Process of 2-(2-Aminoethyl)-5-nitrobenzoic acid

There total 7 articles about 2-(2-Aminoethyl)-5-nitrobenzoic 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: 64.0%

: 22245-96-1
7-nitro-3,4-dihydro-2H-isoquinolin-1-one

: 62541-66-6
2-(2-Aminoethyl)-5-nitrobenzoic acid

Guidance literature:: With hydrogenchloride; at 150 ℃; for 24h;
DOI:10.1021/jo00167a015

Reference yield:

: 6552-60-9
3,4-dihydro-2H-isoquinoline-1-thione

: 62541-66-6
2-(2-Aminoethyl)-5-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / KOH, H₂O₂ / H₂O; methanol / 0.5 h / Ambient temperature

2: 95 percent / fuming HNO₃, conc. H₂SO₄ / 0.5 h / 0 °C

3: 64 percent / conc. HCl / 24 h / 150 °C

With hydrogenchloride; potassium hydroxide; sulfuric acid; dihydrogen peroxide; nitric acid; In methanol; water;
DOI:10.1021/jo00167a015

Reference yield:

: 2257-09-2
Phenethyl isothiocyanate

: 62541-66-6
2-(2-Aminoethyl)-5-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 57 percent / PPA / 0.25 h / 145 °C

2: 94 percent / KOH, H₂O₂ / H₂O; methanol / 0.5 h / Ambient temperature

3: 95 percent / fuming HNO₃, conc. H₂SO₄ / 0.5 h / 0 °C

4: 64 percent / conc. HCl / 24 h / 150 °C

With hydrogenchloride; potassium hydroxide; sulfuric acid; dihydrogen peroxide; nitric acid; In methanol; water;
DOI:10.1021/jo00167a015