Isoproturon-didemethyl

Base Information

Chemical Name:Isoproturon-didemethyl
CAS No.:56046-17-4
Molecular Formula:C10H14 N2 O
Molecular Weight:178.234
Hs Code.:
DSSTox Substance ID:DTXSID10204592
Nikkaji Number:J652.781G
Wikidata:Q27156903
Mol file:56046-17-4.mol

Synonyms:1-(4-isopropylphenyl)urea;didesmethyl isoproturon;didesmethylisoproturon

Suppliers and Price of Isoproturon-didemethyl

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(4-ISOPROPYLPHENYL)UREA 95.00%
5MG
$ 500.18

TRC
(4-Isopropylphenyl)urea
1mg
$ 165.00

Total 5 raw suppliers

Chemical Property of Isoproturon-didemethyl

Chemical Property:

Vapor Pressure:0.00593mmHg at 25°C
Boiling Point:272.9°C at 760 mmHg
Flash Point:118.8°C
PSA：55.12000
Density:1.115g/cm³
LogP:3.07390
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:178.110613074
Heavy Atom Count:13
Complexity:172

Purity/Quality:

99% ^*data from raw suppliers

1-(4-ISOPROPYLPHENYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC=C(C=C1)NC(=O)N
Uses (4-Isopropylphenyl)urea is a phenylurea fungicide used in wheat, grains and vegetable crops. Pesticide component.

Technology Process of Isoproturon-didemethyl

There total 5 articles about Isoproturon-didemethyl 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%

: 590-28-3
potassium cyanate

: 99-88-7
4-Isopropylaniline

: 56046-17-4
3-[4-(1-methylethyl)]phenylurea

Guidance literature:: With hydrogenchloride; In water; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1039/c8ra03761b

Reference yield:

: C₁₀H₁₁N₃O

: 56046-17-4
3-[4-(1-methylethyl)]phenylurea

Guidance literature:: With ammonium hydroxide; In water; N,N-dimethyl-formamide; toluene; at 90 ℃; Inert atmosphere;
DOI:10.1021/acs.joc.9b01697

Reference yield:

: 536-66-3
p-isopropylbenzoic acid

: 56046-17-4
3-[4-(1-methylethyl)]phenylurea

Guidance literature:: Multi-step reaction with 3 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 0.08 h / 0 °C / Inert atmosphere

2: sodium azide; dmap / toluene; N,N-dimethyl-formamide / Inert atmosphere

3: ammonium hydroxide / toluene; N,N-dimethyl-formamide; water / 90 °C / Inert atmosphere

With dmap; ammonium hydroxide; sodium azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; N,N-dimethyl-formamide; toluene; 3: |Curtius Rearrangement;
DOI:10.1021/acs.joc.9b01697