Benoxathian

Base Information

Chemical Name:Benoxathian
CAS No.:92642-94-9
Molecular Formula:C19H23 N O4 S
Molecular Weight:361.462
Hs Code.:
DSSTox Substance ID:DTXSID10919033
Nikkaji Number:J378.329D
Wikipedia:Benoxathian
Wikidata:Q15634033
ChEMBL ID:CHEMBL191044
Mol file:92642-94-9.mol

Synonyms:2-(((2-(2,6-dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathian;benoxathian;benoxathian hydrochloride

Suppliers and Price of Benoxathian

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
BENOXATHIAN 95.00%
5MG
$ 495.47

Total 3 raw suppliers

Chemical Property of Benoxathian

Chemical Property:

Vapor Pressure:3.7E-10mmHg at 25°C
Boiling Point:500.7°Cat760mmHg
Flash Point:256.6°C
PSA：74.25000
Density:1.18g/cm³
LogP:3.61640
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:361.13477939
Heavy Atom Count:25
Complexity:374

Purity/Quality:: BENOXATHIAN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=CC=C1)OC)OCCNCC2CSC3=CC=CC=C3O2

Technology Process of Benoxathian

There total 3 articles about Benoxathian 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:

: 92642-96-1,109912-68-7,109912-69-8
2,3-Dihydro-benzo[1,4]oxathiine-2-carboxylic acid [2-(2,6-dimethoxy-phenoxy)-ethyl]-amide

: 92642-94-9
benoxathian

Guidance literature:: With dimethylsulfide borane complex; In diethylene glycol dimethyl ether; Yield given;
DOI:10.1021/jm00378a001

Reference yield:

: 35143-10-3
ethyl 1,4-benzoxathian-2-carboxylate

: 92642-94-9
benoxathian

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / aq. NaOH

2: 75 percent / Et₃N, EtOCOCl / tetrahydrofuran

3: BH₃*(CH₃)2S / bis-(2-methoxy-ethyl) ether

With sodium hydroxide; dimethylsulfide borane complex; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; diethylene glycol dimethyl ether;
DOI:10.1021/jm00378a001

Reference yield:

: 92642-95-0,109912-66-5,109912-67-6
2,3-dihydrobenzo[b][1,4]oxathiine-2-carboxylic acid

: 92642-94-9
benoxathian

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / Et₃N, EtOCOCl / tetrahydrofuran

2: BH₃*(CH₃)2S / bis-(2-methoxy-ethyl) ether

With dimethylsulfide borane complex; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; diethylene glycol dimethyl ether;
DOI:10.1021/jm00378a001