1,3-Diisopropylurea

Base Information

• Chemical Name: 1,3-Diisopropylurea
• CAS No.: 4128-37-4
• Molecular Formula: C7H16N2O
• Molecular Weight: 144.217
• Hs Code.: 2924199090
• European Community (EC) Number: 223-940-5
• NSC Number: 112719
• UNII: KT3MU4Y10Z
• DSSTox Substance ID: DTXSID6044486
• Nikkaji Number: J13.290J
• Wikidata: Q27282426
• ChEMBL ID: CHEMBL3186988
• Mol file: 4128-37-4.mol

Synonyms:1,3-diisopropylurea

Chemical Property of 1,3-Diisopropylurea

Chemical Property:

• Vapor Pressure: 0.0092mmHg at 25°C
• Melting Point: 185-190℃
• Refractive Index: 1.434
• Boiling Point: 265.4 °C at 760 mmHg
• PKA: 14.05±0.46(Predicted)
• Flash Point: 113.3 °C
• PSA: 41.13000
• Density: 0.903g/cm³
• LogP: 1.88420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 144.126263138
• Heavy Atom Count: 10
• Complexity: 98.2

Purity/Quality:

99% ^*data from raw suppliers

1,3-Diisopropylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)NC(C)C
• Uses: 1,3-Diisopropylurea is one of the photocatalyzed degradation products of the herbicide Bromacil.

Technology Process of 1,3-Diisopropylurea

There total 129 articles about 1,3-Diisopropylurea 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%

ISOPROPYLAMIDE (563-83-7) → 1,3-diisopropylurea (4128-37-4)

Guidance literature:

With iodosylbenzene; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201101784

Reference yield: 97.0%

carbon monoxide (201230-82-2) + isopropylamine (75-31-0) → 1,3-diisopropylurea (4128-37-4)

Guidance literature:

With 1-butyl-3-methyl-1H-imidazole-2(3H)-selenone; oxygen; at 60 ℃; for 6h; under 9750.98 Torr; Autoclave;

DOI:10.1155/2015/210806

Reference yield: 96.0%

C17H28N2O (611239-90-8) + 2,2-diphenylpropanoic acid (5558-66-7) → 1,3-diisopropylurea (4128-37-4) + 4-phenylbutan-2-yl 2,2-diphenylpropanoate (1160842-93-2)

Guidance literature:

In acetonitrile; at 130 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1021/jo900476y

upstream raw materials:

N-bromo-isobutyramide

1,3-Diisopropyl-2-pent-3-ynyl-isourea

N-chloro-isobutyramide

phosgene

Downstream raw materials:

isopropylamine

N-(isopropylcarbamoyl)-4-methylbenzenesulfonamide

i-propyl isocyanide

Isopropylisocyanid-dichlorid