N-Butylurea

Base Information

• Chemical Name: N-Butylurea
• CAS No.: 592-31-4
• Molecular Formula: C5H12 N2 O
• Molecular Weight: 116.163
• Hs Code.: 29241990
• European Community (EC) Number: 209-748-4
• NSC Number: 2597
• UNII: 9CPL5NR15K
• DSSTox Substance ID: DTXSID6020222
• Nikkaji Number: J1.646B
• Wikidata: Q27272364
• ChEMBL ID: CHEMBL3182932
• Mol file: 592-31-4.mol

Synonyms:butylurea;n-butylurea

Chemical Property of N-Butylurea

Chemical Property:

• Appearance/Colour: Appearance White powder;Content ≥99%;Water content ≤0,25%
• Vapor Pressure: 0.944mmHg at 25°C
• Melting Point: 94-98 ºC
• Refractive Index: 1.449
• Boiling Point: 179.4 °C at 760 mmHg
• PKA: 14.38±0.46(Predicted)
• Flash Point: 62.3 °C
• PSA: 55.12000
• Density: 0.962 g/cm³
• LogP: 1.54600
• Storage Temp.: Refrigerator
• Solubility.: Methanol
• Water Solubility.: soluble
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.094963011
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butylurea >96.0%(N) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-68-37-20/21/22
• Safety Statements: 45-36/37-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Urea Compounds
• Canonical SMILES: CCCCNC(=O)N
• Uses: n-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.

Technology Process of N-Butylurea

There total 29 articles about N-Butylurea 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: 98.0%

N-butylamine (109-73-9,85404-21-3) + urea (57-13-6) → 1-butyl-urea (592-31-4)

Guidance literature:

With choline chloride; tin(ll) chloride; at 130 ℃; for 8h; Green chemistry;

DOI:10.1039/d1nj01827b

Reference yield: 95.0%

S-methyl N-butyl thiocarbamate → 1-butyl-urea (592-31-4)

Guidance literature:

With ammonia; In ethyl acetate;

Reference yield: 93.0%

potassium cyanate (590-28-3) + N-butylamine (109-73-9,85404-21-3) → 1-butyl-urea (592-31-4)

Guidance literature:

With para-dodecylbenzenesulfonic acid; In neat (no solvent); at 80 ℃; for 0.75h; Green chemistry;

DOI:10.1039/c5ra14528g

upstream raw materials:

potassium cyanate

n-butylamine hydrochloride

diethyl ether

1-cyanoformamide

Downstream raw materials:

3-n-butyluracil

1-Butyl-3-<4-acetoxy-benzoyl>-harnstoff

1-Butyl-3-<4-ethoxycarbonylamino-benzoyl>-harnstoff

1-Butyl-3-(β-phenyl-isovaleryl)-harnstoff

Refernces

• 1、 Basu, Priyanka,Dey, Tusar Kanto,Ghosh, Aniruddha,Biswas, Surajit,Khan, Aslam,Islam, Sk. Manirul. "An efficient one-pot synthesis of industrially valuable primary organic carbamates and: N -substituted ureas by a reusable Merrifield anchored iron(ii)-anthra catalyst [FeII(Anthra-Merf)] using urea as a sustainable carbonylation source". . p. 2630 - 2643. Retrieved 2020/02/20.
• 2、 Inaloo, Iman Dindarloo,Majnooni, Sahar,Esmaeilpour, Mohsen. "Superparamagnetic Fe3O4 Nanoparticles in a Deep Eutectic Solvent: An Efficient and Recyclable Catalytic System for the Synthesis of Primary Carbamates and Monosubstituted Ureas". . p. 3481 - 3488. Retrieved 2018/07/29.