N-Propylurea

Base Information

• Chemical Name: N-Propylurea
• CAS No.: 627-06-5
• Molecular Formula: C4H10 N2 O
• Molecular Weight: 102.136
• European Community (EC) Number: 210-981-9
• NSC Number: 73471
• UNII: 0PK51J4AV7
• DSSTox Substance ID: DTXSID2060830
• Nikkaji Number: J843E
• Wikidata: Q27237068
• Mol file: 627-06-5.mol

Synonyms:propylurea

Chemical Property of N-Propylurea

Chemical Property:

• Vapor Pressure: 2.67mmHg at 25°C
• Melting Point: 107-109 ºC
• Refractive Index: 1.4386 (estimate)
• Boiling Point: 158.1 ºC at 760 mmHg
• Flash Point: 49.4 ºC
• PSA: 55.12000
• Density: 0.98 g/cm³
• LogP: 1.15590
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.079312947
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

Propylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=O)N
• Uses: n-Propylurea is used as a reactant in the preparation of N-1 monosubstituted 8-pyrazolyl xanthines as high affinity A2B adenosine receptor antagonists.

Technology Process of N-Propylurea

There total 17 articles about N-Propylurea 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: 99.0%

Propyl isocyanate (110-78-1) → n-propylurea (627-06-5)

Guidance literature:

With ammonia; In ethanol; at 20 ℃; for 0.5h;

Reference yield: 97.0%

allylurea (557-11-9) → n-propylurea (627-06-5)

Guidance literature:

With oxygen; hydrazine hydrate; In propan-1-ol; water; at 100 ℃; under 15001.5 Torr;

DOI:10.1002/anie.201303528

Reference yield: 89.0%

propylamine (107-10-8,42939-71-9) + potassium cyanate (590-28-3) → n-propylurea (627-06-5)

Guidance literature:

With hydrogenchloride; In water; for 0.5h; Reflux;

DOI:10.1055/s-0040-1707391

upstream raw materials:

propylamine

1-methyl-1-nitrosourea

Propyl isocyanate

propionaldehyde

Downstream raw materials:

1-propylpyrimidine-2,4,6(1H,3H,5H)-trione

N-cyanoacetyl-N'-propyl-urea

N-propyl-N-nitrosourea

1-n-propylhydantoin

Refernces

• 1、 álvarez, Daniel,Cadierno, Victorio,Crochet, Pascale,González-Fernández, Rebeca,López, Ramón,Menéndez, M. Isabel. "Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights". . p. 4084 - 4098. Retrieved 2020/07/09.
• 2、 Wang, Chien-Hong,Hsieh, Tsung-Han,Lin, Chia-Chi,Yeh, Wen-Hsiung,Lin, Chih-An,Chien, Tun-Cheng. "One-Pot Synthesis of N-Monosubstituted Ureas from Nitriles via Tiemann Rearrangement". supporting information. p. 1823 - 1826. Retrieved 2015/08/06.