Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester

Base Information

Chemical Name:Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester
CAS No.:5816-96-6
Molecular Formula:C13H15NO3S
Molecular Weight:265.333
Hs Code.:
DSSTox Substance ID:DTXSID50444470

Synonyms:5816-96-6;Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester;DTXSID50444470;ethyl alpha-phenylthiocarbamoyl-acetoacetate

Suppliers and Price of Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester

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
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price

Total 1 raw suppliers

Chemical Property of Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:265.07726451
Heavy Atom Count:18
Complexity:324

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)C)C(=S)NC1=CC=CC=C1

Technology Process of Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester

There total 3 articles about Butanoic acid, 3-oxo-2-[(phenylamino)thioxomethyl]-, ethyl ester 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: 46.0%

: 141-97-9
ethyl acetoacetate

: 103-72-0
phenyl isothiocyanate

: 5816-96-6
ethyl-α-(N-phenylthiocarbamyl)acetoacetate

Guidance literature:: ethyl acetoacetate; With sodium; In diethyl ether; at 0 ℃;

phenyl isothiocyanate; In diethyl ether; for 24h;
DOI:10.1248/cpb.47.1614