Isoproturon-monodemethyl

Base Information

• Chemical Name: Isoproturon-monodemethyl
• CAS No.: 34123-57-4
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• European Community (EC) Number: 621-315-5
• DSSTox Substance ID: DTXSID90891449
• Nikkaji Number: J652.780I
• Wikidata: Q27156851
• ChEMBL ID: CHEMBL163921
• Mol file: 34123-57-4.mol

Synonyms:1-(4-isopropylphenyl)-3-methylurea;3-(4-isopropylphenyl)-1-methylurea;monodesmethyl isoproturon;monodesmethylisoproturon

Chemical Property of Isoproturon-monodemethyl

Chemical Property:

• Vapor Pressure: 0.00592mmHg at 25°C
• Boiling Point: 272.9°Cat760mmHg
• Flash Point: 99.9°C
• PSA: 44.62000
• Density: 1.059g/cm³
• LogP: 2.83870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

1-(4-ISOPROPYL-PHENYL)-3-METHYL-UREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)NC(=O)NC
• Uses: 1-?(4-?Isopropylphenyl)?-?3-?methylurea is a fungicide used in pesticides.

Technology Process of Isoproturon-monodemethyl

There total 4 articles about Isoproturon-monodemethyl 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: 53.0%

4-Isopropylaniline (99-88-7) + methyl isocyanate (624-83-9) → 3-[4-(1-methylethyl)phenyl]-1-methylurea (34123-57-4)

Guidance literature:

at 20 ℃;

DOI:10.1021/jm0010264

Reference yield:

N-(4-isopropylphenyl)-N',N'-dimethylurea (34123-59-6,217487-17-7) → 1,1-Dimethylurea (598-94-7) + 3-[4-(1-methylethyl)phenyl]-1-methylurea (34123-57-4) + 1-(4-acetylphenyl)-3,3-dimethylurea + 3-(4-(1-hydroxyethyl)phenyl)-1,1-dimethylurea

Guidance literature:

With iron(III) perchlorate; In water; Quantum yield; Irradiation;

DOI:10.1002/ps.505

Reference yield:

4-isopropylphenylisocyanate (31027-31-3) + methylamine (74-89-5) → 3-[4-(1-methylethyl)phenyl]-1-methylurea (34123-57-4)

Guidance literature:

In tetrahydrofuran; ethanol; at 65 ℃;

DOI:10.1021/jm049787k

upstream raw materials:

4-Isopropylaniline

methyl isocyanate

N-(4-isopropylphenyl)-N',N'-dimethylurea

4-isopropylphenylisocyanate

Downstream raw materials:

N-methyl-N-isopropylthio-N'-(4-isopropylphenyl)-urea

N-methyl-N-n-butylthio-N'-(4-isopropylphenyl)-urea

7-benzyloxymethyl-3-(2-chloro-4-isopropylphenyl)-8-ethyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione

1-benzyloxymethyl-4-[(2-chloro-4-isopropylphenyl)amino]-2-ethyl-N-methyl-1H-imidazole-5-carboxamide