1-Phenyl-3-prop-2-yn-1-ylurea

Base Information

Chemical Name:1-Phenyl-3-prop-2-yn-1-ylurea
CAS No.:101871-81-2
Molecular Formula:C10H10N2O
Molecular Weight:174.202
Hs Code.:
DSSTox Substance ID:DTXSID60559180
Nikkaji Number:J2.629.810E
Wikidata:Q82441810
Mol file:101871-81-2.mol

Synonyms:101871-81-2;1-phenyl-3-prop-2-yn-1-ylurea;1-phenyl-3-(prop-2-yn-1-yl)urea;Urea, N-phenyl-N'-2-propyn-1-yl-;1-phenyl-3-prop-2-ynylurea;3-(2-propynyl)-1-phenyl urea;N-phenyl-N'-propargylurea;SCHEMBL3866414;DTXSID60559180;LPMOFOYPMBQANL-UHFFFAOYSA-N;N-Phenyl-N'-prop-2-yn-1-ylurea;BEA87181;MFCD11756585;AKOS009036277;AS-60995;CS-0216640;EN300-53294;W16074;Z105755866

Suppliers and Price of 1-Phenyl-3-prop-2-yn-1-ylurea

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 3 raw suppliers

Chemical Property of 1-Phenyl-3-prop-2-yn-1-ylurea

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:174.079312947
Heavy Atom Count:13
Complexity:210

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-Phenyl-3-prop-2-yn-1-ylurea

There total 7 articles about 1-Phenyl-3-prop-2-yn-1-ylurea 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%

: 103-71-9
phenyl isocyanate

: 2450-71-7
Propargylamine

: 101871-81-2
1-phenyl-3-(prop-2-yn-1-yl)urea

Guidance literature:: In dichloromethane; at 20 ℃; Cooling with ice;
DOI:10.1021/ja505529n

Reference yield: 65.0%

: 19226-36-9
3-phenyl-5H-1,4,2-dioxazol-5-one

: 2450-71-7
Propargylamine

: 101871-81-2
1-phenyl-3-(prop-2-yn-1-yl)urea

Guidance literature:: With 2,2,2-trifluoroethanol; at 50 ℃; for 18h;
DOI:10.1080/00397911.2021.1983605

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 101871-81-2
1-phenyl-3-(prop-2-yn-1-yl)urea

Guidance literature:: Multi-step reaction with 3 steps

1: diphenyl phosphoryl azide; triethylamine / 1,4-dioxane / 0.5 h / 20 °C

2: 1,4-dioxane / 2 h / 100 °C

3: 1,4-dioxane / 1 h / 20 °C

With diphenyl phosphoryl azide; triethylamine; In 1,4-dioxane; 2: Curtius rearrangement;
DOI:10.1016/j.bmcl.2012.02.029