1-(2-Methylbut-3-yn-2-yl)-3-phenylurea

Base Information

Chemical Name:1-(2-Methylbut-3-yn-2-yl)-3-phenylurea
CAS No.:42785-81-9
Molecular Formula:C12H14 N2 O
Molecular Weight:202.25
Hs Code.:2924299090
DSSTox Substance ID:DTXSID20384495
Nikkaji Number:J3.368.505J
Wikidata:Q82176677
Mol file:42785-81-9.mol

Synonyms:1-(2-Methylbut-3-yn-2-yl)-3-phenylurea;42785-81-9;HMS550B16;Maybridge1_003030;MANDELICACIDHYDRAZIDE;DTXSID20384495;AKOS010651567;CCG-241994;1-Phenyl-3-(1,1-dimethylpropargyl)urea;1-(2-methyl but-3-yn-2-yl)-3-phenylurea;FT-0703367;1-(2-methylbut-3-yn-2-yl)-3-phenylurea, AldrichCPR

Suppliers and Price of 1-(2-Methylbut-3-yn-2-yl)-3-phenylurea

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-(2-METHYLBUT-3-YN-2-YL)-3-PHENYLUREA 95.00%
5MG
$ 496.83

Total 7 raw suppliers

Chemical Property of 1-(2-Methylbut-3-yn-2-yl)-3-phenylurea

Chemical Property:

PSA：41.13000
LogP:2.68380
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:202.110613074
Heavy Atom Count:15
Complexity:269

Purity/Quality:

95% ^*data from raw suppliers

1-(2-METHYLBUT-3-YN-2-YL)-3-PHENYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#C)NC(=O)NC1=CC=CC=C1

Technology Process of 1-(2-Methylbut-3-yn-2-yl)-3-phenylurea

There total 4 articles about 1-(2-Methylbut-3-yn-2-yl)-3-phenylurea 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: 100.0%

: 103-71-9
phenyl isocyanate

: 2978-58-7
1,1-dimethylprop-3-ynylamine

: 42785-81-9
1-(2-methylbut-3-yn-2-yl)-3-phenylurea

Guidance literature:: In tetrahydrofuran; at 20 ℃;
DOI:10.1021/acs.joc.9b00064

Reference yield:

: 2978-58-7
1,1-dimethylprop-3-ynylamine

: 42785-81-9
1-(2-methylbut-3-yn-2-yl)-3-phenylurea

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 24 h / 20 °C

2: triethylamine / chloroform / 24 h / Reflux

With triethylamine; In tetrahydrofuran; chloroform;
DOI:10.1016/j.tetlet.2014.06.098