Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester

Base Information

Chemical Name:Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester
CAS No.:75889-63-3
Molecular Formula:C₂₀H₂₄NO₃PS
Molecular Weight:389.455
Hs Code.:
ChEMBL ID:CHEMBL168789
DSSTox Substance ID:DTXSID801154088

Synonyms:CHEMBL168789;SCHEMBL11160844;DTXSID801154088;Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester;75889-63-3

Suppliers and Price of Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester

Supply Marketing:

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

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Chemical Property of Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:389.12145180
Heavy Atom Count:26
Complexity:458

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OCCC

Technology Process of Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl ester

There total 2 articles about Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dipropyl 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: 93.0%

: 923-99-9
tri-n-propyl phosphite

: 24239-18-7
2-<4-(bromomethyl)phenyl>benzothiazole

: 75889-63-3
1-(benzothiazol-2-yl)-4-di-n-propyloxyphosphinylmethylbenzene

Guidance literature:: at 130 - 160 ℃; for 0.25h;
DOI:10.1021/jm00155a037

Reference yield:

: 16112-21-3
2-(4-methylphenyl)-1,3-benzothiazole

: 75889-63-3
1-(benzothiazol-2-yl)-4-di-n-propyloxyphosphinylmethylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 67.4 percent / N-bromosuccinimide, benzoyl peroxide / CCl₄ / 12 h / Heating

2: 93 percent / 0.25 h / 130 - 160 °C

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane;
DOI:10.1021/jm00155a037