1,3-Diallylurea

Base Information

• Chemical Name: 1,3-Diallylurea
• CAS No.: 1801-72-5
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2924199090
• European Community (EC) Number: 217-291-7
• NSC Number: 102722
• UNII: LXM0XY469I
• DSSTox Substance ID: DTXSID80170917
• Nikkaji Number: J122.192B
• Wikidata: Q27283240
• Mol file: 1801-72-5.mol

Synonyms:NSC 102722;NSC-102722

Chemical Property of 1,3-Diallylurea

Chemical Property:

• Appearance/Colour: white to light yellow crystals.
• Vapor Pressure: 0.00282mmHg at 25°C
• Melting Point: 90-93 °C(lit.)
• Refractive Index: 1.464
• Boiling Point: 285.3 °C at 760 mmHg
• Flash Point: 129.6 °C
• PSA: 41.13000
• Density: 0.94 g/cm³
• LogP: 1.43940
• Solubility.: soluble in Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

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

1,3-Diallylurea ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCNC(=O)NCC=C
• Uses: 1,3-Diallylurea has a good effect on preventing and controlling aphids.

Technology Process of 1,3-Diallylurea

There total 23 articles about 1,3-Diallylurea 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: 98.5%

allylisocyanate (1476-23-9) → 1,3-diallylurea (1801-72-5)

Guidance literature:

With water; triethylamine; In 1,4-dioxane; at 20 ℃; for 0.05h;

DOI:10.1081/SCC-200061656

Reference yield: 97.0%

S,S-dimethyl dithiocarbonate (868-84-8) + 1-amino-2-propene (107-11-9,30551-89-4) → 1,3-diallylurea (1801-72-5)

Guidance literature:

In water; at 60 ℃; for 6h;

DOI:10.1055/s-2007-990813

Reference yield: 90.0%

<1,3>oxathiolo<4,5-b>pyridin-2-one (79247-38-4) + 1-amino-2-propene (107-11-9,30551-89-4) → 1,3-diallylurea (1801-72-5)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo00002a081

upstream raw materials:

1,1-diallyl-thiourea

allylisocyanate

potassium cyanate

3-chloroprop-1-ene

Refernces

• 1、 Tamura, Masazumi,Ito, Kazuki,Nakagawa, Yoshinao,Tomishige, Keiichi. "CeO2-catalyzed direct synthesis of dialkylureas from CO2 and amines". . p. 75 - 85. Retrieved 2016/11/11.
• 2、 Li, Hong-Xi,Cheng, Mei-Ling,Wang, He-Ming,Yang, Xiao-Juan,Ren, Zhi-Gang,Lang, Jian-Ping. "Lanthanide(III) 4,6-dimethylpyrimidine-2-thionate complexes as efficient catalysts for isocyanate cyclodimerization". experimental part. p. 208 - 214. Retrieved 2011/03/17.