2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol

Base Information

Chemical Name:2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol
CAS No.:105652-75-3
Molecular Formula:C10H15N3O5S
Molecular Weight:289.312
Hs Code.:
DSSTox Substance ID:DTXSID80545409
Wikidata:Q82422893
Mol file:105652-75-3.mol

Synonyms:105652-75-3;SCHEMBL9878203;DTXSID80545409;SMPHMIJKBLNKAT-UHFFFAOYSA-N;2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol;2-beta-Aminoethylamino-5-nitrophenyl hydroxyethyl sulfone

Suppliers and Price of 2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol

Supply Marketing:

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

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Chemical Property of 2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol

Chemical Property:

XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:289.07324176
Heavy Atom Count:19
Complexity:389

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-])S(=O)(=O)CCO)NCCN

Technology Process of 2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol

There total 4 articles about 2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol 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: 93.5%

: 100983-92-4
2-chloro-5-nitrophenyl 2-hydroxyethyl sulphone

: 107-15-3,85404-18-8
ethylenediamine

: 105652-75-3
4-(β-aminoethylamino)-3-(β-hydroxyethylsulfonyl)-nitrobenzene

Guidance literature:: at 60 - 62 ℃; for 0.5h; Temperature;

Reference yield:

: 96-73-1
2-chloro-5-nitro-benzenesulfonic acid

: 105652-75-3
4-(β-aminoethylamino)-3-(β-hydroxyethylsulfonyl)-nitrobenzene

Guidance literature:: Multi-step reaction with 4 steps

1.1: chlorosulfonic acid / 0.5 h

1.2: 75 - 76 °C

2.1: sodium hydrogensulfite; sodium hydroxide / 8 - 9 °C / pH 6.95 - 7.05 / Cooling with ice

3.1: sulfuric acid / water / 1 h / 60 - 85 °C / pH 6.45 - 7

4.1: 0.5 h / 60 - 62 °C

With chlorosulfonic acid; sulfuric acid; sodium hydrogensulfite; sodium hydroxide; In water;

Reference yield:

: 4533-95-3
5-nitro-2-chlorobenzenesulfonyl chloride

: 105652-75-3
4-(β-aminoethylamino)-3-(β-hydroxyethylsulfonyl)-nitrobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydrogensulfite; sodium hydroxide / 8 - 9 °C / pH 6.95 - 7.05 / Cooling with ice

2: sulfuric acid / water / 1 h / 60 - 85 °C / pH 6.45 - 7

3: 0.5 h / 60 - 62 °C

With sulfuric acid; sodium hydrogensulfite; sodium hydroxide; In water;