4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid

Base Information

Chemical Name:4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
CAS No.:153596-02-2
Molecular Formula:C₅H₈N₄O₃
Molecular Weight:172.144
Hs Code.:
DSSTox Substance ID:DTXSID70565853
Wikidata:Q82451160
Mol file:153596-02-2.mol

Synonyms:153596-02-2;4-(2-aminoethylamino)-1,2,5-oxadiazole-3-carboxylic acid;4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid;1,2,5-Oxadiazole-3-carboxylicacid,4-[(2-aminoethyl)amino]-(9CI);4-[(2-Aminoethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid;DTXSID70565853;4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylicacid

Suppliers and Price of 4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid

Supply Marketing:

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

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Chemical Property of 4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid

Chemical Property:

PSA：114.27000
LogP:-0.08830
XLogP3:-2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:172.05964013
Heavy Atom Count:12
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CNC1=NON=C1C(=O)O)N

Technology Process of 4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid

There total 5 articles about 4-((2-Aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic 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: 67.0%

: 153596-06-6
3-(β-iodoethylamino)-1,2,5-oxadiazole-4-carboxylic acid

: 153596-02-2
3-(β-aminoethylamino)-1,2,5-oxadiazole-4-carboxylic acid

Guidance literature:: With ammonium hydroxide; ammonium carbonate; at 60 ℃; for 12h;

Reference yield:

: 135086-65-6
3-(β-hydroxyethylamino)-1,2,5-thiadiazole-4-carboxylic acid

: 153596-02-2
3-(β-aminoethylamino)-1,2,5-oxadiazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂, DMFA / tetrahydrofuran / 60 °C

2: aq. K₂CO₃ / Heating; other pH=9-10

3: 80 percent / NaI / acetone / 6 h / Heating

4: 76 percent / NaI / acetone / 6 h / Heating

5: 67 percent / aq. NH₃, (NH₄)2CO₃ / 12 h / 60 °C

With ammonium hydroxide; thionyl chloride; ammonium carbonate; potassium carbonate; N,N-dimethyl-formamide; sodium iodide; In tetrahydrofuran; acetone;

Reference yield:

: 3-(β-chloroethylamino)-1,2,5-thiadiazole-4-carbonyl chloride

: 153596-02-2
3-(β-aminoethylamino)-1,2,5-oxadiazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: aq. K₂CO₃ / Heating; other pH=9-10

2: 80 percent / NaI / acetone / 6 h / Heating

3: 76 percent / NaI / acetone / 6 h / Heating

4: 67 percent / aq. NH₃, (NH₄)2CO₃ / 12 h / 60 °C

With ammonium hydroxide; ammonium carbonate; potassium carbonate; sodium iodide; In acetone;