1,3-Dipyridin-4-ylurea

Base Information

• Chemical Name: 1,3-Dipyridin-4-ylurea
• CAS No.: 39642-87-0
• Molecular Formula: C₁₁H₁₀N₄O
• Molecular Weight: 214.227
• Hs Code.: 2933399090
• European Community (EC) Number: 812-269-9
• UNII: K6T4QXS7EN
• Nikkaji Number: J31.403J
• ChEMBL ID: CHEMBL1319238
• Mol file: 39642-87-0.mol

Synonyms:1,3-dipyridin-4-ylurea;39642-87-0;n,n'-bis(4-pyridyl)urea;1,3-di(pyridin-4-yl)urea;K6T4QXS7EN;N,N'-Di-4-pyridinylurea;MLS000708185;Urea, N,N'-di-4-pyridinyl-;SMR000287652;1,3-bis(4-pyridyl)urea;1,3-bis(pyridin-4-yl)urea;UNII-K6T4QXS7EN;CHEMBL1319238;SCHEMBL10020286;BDBM43469;cid_1082704;HMS2740F23;BAS 06103464;EN300-10843936;SR-01000320205;SR-01000320205-1;Z336287618

Chemical Property of 1,3-Dipyridin-4-ylurea

Chemical Property:

• Melting Point: 208 °C
• Boiling Point: 299.3±15.0 °C(Predicted)
• Density: 1.370±0.06 g/cm3(Predicted)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.08546096
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

N,N''-Bis(4-pyridyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=CC=C1NC(=O)NC2=CC=NC=C2

Technology Process of 1,3-Dipyridin-4-ylurea

There total 11 articles about 1,3-Dipyridin-4-ylurea 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: 88.0%

4-aminopyridine (504-24-5) + urea (57-13-6) → 1,3-bis(pyridin-4-yl)urea (39642-87-0)

Guidance literature:

With cerium(III) chloride; potassium iodide; In water; for 0.133333h; microwave irradiation;

DOI:10.1080/00397910500187126

Reference yield: 87.0%

4-pyridinecarbohydroxamic acid (4427-22-9) → 1,3-bis(pyridin-4-yl)urea (39642-87-0)

Guidance literature:

With palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 24h; Solvent; Reagent/catalyst; Sealed tube;

DOI:10.1002/adsc.201400170

Reference yield: 84.0%

4-aminopyridine (504-24-5) + 1,1'-carbonyldiimidazole (530-62-1) → 1,3-bis(pyridin-4-yl)urea (39642-87-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1016/j.bmcl.2017.12.064

upstream raw materials:

4-aminopyridine

bis(phenyl) carbonate

urea

isoniazid

Refernces

• 1、 Esrafili, Leili,Morsali, Ali,Hu, Mao-Lin,Azhdari Tehrani, Alireza,Carlucci, Lucia,Mercandelli, Pierluigi,Proserpio, Davide M.. "Size-Selective Urea-Containing Metal-Organic Frameworks as Receptors for Anions". . p. 16421 - 16429. Retrieved 2020.
• 2、 Baggi, Giorgio,Boiocchi, Massimo,Fabbrizzi, Luigi,Mosca, Lorenzo. "Moderate and advanced intramolecular proton transfer in urea-anion hydrogen-bonded complexes". . p. 9423 - 9439. Retrieved 2011.
• 3、 Biswas, Protap,Dastidar, Parthasarathi. "Anchoring Drugs to a Zinc(II) Coordination Polymer Network: Exploiting Structural Rationale toward the Design of Metallogels for Drug-Delivery Applications". . p. 3218 - 3231. Retrieved 2021/03/01.