Selenourea

Base Information

• Chemical Name: Selenourea
• CAS No.: 630-10-4
• Molecular Formula: CH4N2Se
• Molecular Weight: 123.016
• Hs Code.: 29310099
• European Community (EC) Number: 211-129-9
• NSC Number: 227840
• UN Number: 3283,3077
• UNII: 0W506YR523
• DSSTox Substance ID: DTXSID4024303
• Wikipedia: Selenourea
• ChEMBL ID: CHEMBL3187603
• Mol file: 630-10-4.mol

Synonyms:selenourea

Chemical Property of Selenourea

Chemical Property:

• Appearance/Colour: slightly pink to grey crystalline needles
• Vapor Pressure: 0.064mmHg at 25°C
• Melting Point: 210-215oC (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 52.04000
• Density: g/cm³
• LogP: -0.32720
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Soluble in water, alcohol and ether.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.94614
• Heavy Atom Count: 4
• Complexity: 33
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

Selenourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Urea Compounds
• Canonical SMILES: C(=N)(N)[Se]
• Uses: Selenourea is used in the synthesis of selenium heterocycles, which exhibit anti-inflammatory and anti-tumor activity. It acts as an effective ligand and form complexes with transition metals and metalloids.

Technology Process of Selenourea

There total 9 articles about Selenourea 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: 37.0%

CYANAMID (420-04-2) → selenourea (630-10-4)

Guidance literature:

With phosphorus selenide; water; In ethanol; Heating;

DOI:10.1055/s-2002-35604

Reference yield:

dicarbamimidoyl-diselane; hydrochloride (30633-56-8) → hydrogenchloride (7647-01-0,15364-23-5) + CYANAMID (420-04-2) + selenourea (630-10-4)

Guidance literature:

Reference yield:

selenium (7782-49-2) + carbamimidothioic acid methyl ester (2986-19-8) → selenourea (630-10-4)

Guidance literature:

selenium; With sodium tetrahydroborate; In ethanol; for 0.5h; Cooling with ice;

carbamimidothioic acid methyl ester; With sodium carbonate; In ethanol; at 20 ℃; for 22h; Reflux;

upstream raw materials:

CYANAMID

S-methylthiouronium iodide

diethyl ether

water

Downstream raw materials:

4-phenyl-5-phenylselenazol-2-ylamine

2-amino-Δ²-selenazolin-4-one, amino form

2-amino-4-phenyl-1,3-selenazole

5-methyl-4-phenyl-selenazol-2-ylamine

Refernces

• 1、 Indira Priyadarsini,Mishra,Maity,Mohan, Hari. "Formation of dimer radical cations of selenourea on oxidation: Pulse radiolysis studies". . p. 985 - 988. Retrieved 2007/10/03.
• 2、 Geisler, Karlheinz,Jacobs, Anke,Künzler, Andreas,Mathes, Manuela,Girrleit, Ilona,Zimmermann, Birgit,Bulka, Ehrenfried,Pfeiffer, Wolf-Diethard,Langer, Peter. "Efficient synthesis of primary selenocarboxylic amides by reaction of nitriles with phosphorous(V) selenide". . p. 1983 - 1986. Retrieved 2007/10/03.