Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate

Base Information

Chemical Name:Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate
CAS No.:104608-38-0
Molecular Formula:C₂₂H₂₅N₂O₃PS
Molecular Weight:428.492
Hs Code.:
ChEMBL ID:CHEMBL71667
DSSTox Substance ID:DTXSID70909056
Nikkaji Number:J336.683I

Synonyms:104608-38-0;BRN 4213489;Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate;Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(hexahydro-2-oxo-1H-azepin-1-yl)-, ethyl ester;CHEMBL71667;DTXSID70909056;Ethyl {[4-(1,3-benzothiazol-2-yl)phenyl]methyl}(2-oxoazepan-1-yl)phosphinate

Suppliers and Price of Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate

Supply Marketing:

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

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Chemical Property of Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:428.13235083
Heavy Atom Count:29
Complexity:611

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCC4=O

Technology Process of Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate

There total 2 articles about Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate 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:

: 75889-62-2
fostedil

: 104608-38-0
(4-Benzothiazol-2-yl-benzyl)-(2-oxo-azepan-1-yl)-phosphinic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / SOCl₂, DMF / 3 h / Heating

With thionyl chloride; N,N-dimethyl-formamide;
DOI:10.1021/jm00170a024