Bentaluron

Base Information

Chemical Name:Bentaluron
CAS No.:28956-64-1
Molecular Formula:C₁₁H₁₃N₃OS
Molecular Weight:235.31
Hs Code.:2934999090
UNII:CX774E8C9Y
ChEMBL ID:CHEMBL3794458
DSSTox Substance ID:DTXSID30183153
Nikkaji Number:J21.561I
Wikidata:Q27275873
Mol file:28956-64-1.mol

Synonyms:Bentaluron;28956-64-1;Bentaluron [ISO];UNII-CX774E8C9Y;CX774E8C9Y;1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea;1-(1,3-BENZOTHIAZOL-2-YL)-3-ISOPROPYLUREA;SCHEMBL161765;CHEMBL3794458;DTXSID30183153;AKOS001359782;EN300-11139849;N-2-BENZOTHIAZOLYL-N'-(1-METHYLETHYL)UREA;1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)urea;Q27275873;Z57572440;Urea, N-2-benzothiazolyl-N'-(1-methylethyl)-;Urea, 1-(2-benzothiazolyl)-3-isopropyl- (8CI);N-2-Benzothiazolyl-N'-(1-methylethyl)urea

Suppliers and Price of Bentaluron

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

Total 4 raw suppliers

Chemical Property of Bentaluron

Chemical Property:

Refractive Index:1.668
PSA：85.75000
Density:1.296g/cm³
LogP:3.10360
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:235.07793322
Heavy Atom Count:16
Complexity:260

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NC(=O)NC1=NC2=CC=CC=C2S1

Technology Process of Bentaluron

There total 3 articles about Bentaluron 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: 50.0%

: 136-95-8,102337-98-4,84293-42-5
2-amino-benzthiazole

: 1795-48-8
Isopropyl isocyanate

: 28956-64-1
1-(1,3-benzothiazol-2-yl)-3-isopropylurea

Guidance literature:: In toluene; for 5h; Reflux;
DOI:10.1016/j.ejmech.2016.03.028

Reference yield:

: 62-53-3
aniline

: 28956-64-1
1-(1,3-benzothiazol-2-yl)-3-isopropylurea

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetic acid / 0.17 h / Cooling with ice

1.2: 21 h / 20 °C

2.1: toluene / 5 h / Reflux

With acetic acid; In toluene;
DOI:10.1016/j.ejmech.2016.03.028