Ethyl 3-(3-nitropyridin-4-ylamino)propionate

Base Information

• Chemical Name: Ethyl 3-(3-nitropyridin-4-ylamino)propionate
• CAS No.: 234450-52-3
• Molecular Formula: C₁₀H₁₃N₃O₄
• Molecular Weight: 239.231
• DSSTox Substance ID: DTXSID50699862
• Wikidata: Q82630928
• Mol file: 234450-52-3.mol

Synonyms:ETHYL 3-(3-NITROPYRIDIN-4-YLAMINO)PROPIONATE;234450-52-3;SCHEMBL7356308;DTXSID50699862;AKOS011232597;EN300-103255;Ethyl N-(3-nitropyridin-4-yl)-beta-alaninate;ethyl 3-[(3-nitropyridin-4-yl)amino]propanoate

Chemical Property of Ethyl 3-(3-nitropyridin-4-ylamino)propionate

Chemical Property:

• Boiling Point: 413.4±40.0 °C(Predicted)
• PKA: 3.94±0.36(Predicted)
• PSA: 97.04000
• Density: 1.303±0.06 g/cm3(Predicted)
• LogP: 1.95110
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 239.09060590
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-3-(3-NITROPYRIDIN-4-YLAMINO)PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCNC1=C(C=NC=C1)[N+](=O)[O-]

Technology Process of Ethyl 3-(3-nitropyridin-4-ylamino)propionate

There total 1 articles about Ethyl 3-(3-nitropyridin-4-ylamino)propionate 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: 62.0%

ethyl β-alaninate hydrochloride (4244-84-2) + 4-chloro-3-nitropyridine (13091-23-1) → ethyl N-(3-nitropyridin-4-yl)-β-alaninate (234450-52-3)

Guidance literature:

With triethylamine; In ethanol; for 2h; Heating;

DOI:10.1016/j.bmc.2004.03.023

Reference yield: 92.0%

ethyl N-(3-nitropyridin-4-yl)-β-alaninate (234450-52-3) → ethyl N-(3-aminopyridin-4-yl)-β-alaninate (234450-53-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 2h; under 1125.09 Torr;

DOI:10.1016/j.bmc.2004.03.023

Reference yield: 71.0%

ethyl N-(3-nitropyridin-4-yl)-β-alaninate (234450-52-3) → N-(3-nitropyridin-4-yl)-β-alanine (710349-42-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 4h;

DOI:10.1016/j.bmc.2004.03.023

upstream raw materials:

ethyl β-alaninate hydrochloride

4-chloro-3-nitropyridine

Downstream raw materials:

N-(3-nitropyridin-4-yl)-β-alanine

ethyl N-(3-aminopyridin-4-yl)-β-alaninate

1,2,3,5-tetrahydro-4H-pyrido[3,4-b][1,4]diazepin-4-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 234450-52-3 ETHYL 3-(3-NITROPYRIDIN-4-YLAMINO)PROPIONATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send