1-(Benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

Base Information

Chemical Name:1-(Benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene
CAS No.:75889-61-1
Molecular Formula:C₁₆H₁₆NO₃PS
Molecular Weight:333.348
Hs Code.:
ChEMBL ID:CHEMBL352294
DSSTox Substance ID:DTXSID801155179
Wikidata:Q107947297

Synonyms:CHEMBL352294;1-(benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene;SCHEMBL11153617;PZVFCOBSECKUAX-UHFFFAOYSA-N;DTXSID801155179;75889-61-1;Phosphonic acid, [[4-(2-benzothiazolyl)phenyl]methyl]-, dimethyl ester

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

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Chemical Property of 1-(Benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:333.05885154
Heavy Atom Count:22
Complexity:406

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC

Technology Process of 1-(Benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

There total 3 articles about 1-(Benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene 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: 57.0%

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

: 121-45-9
phosphorous acid trimethyl ester

: 75889-61-1
1-(benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

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

Reference yield:

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

: 1-(benzothiazol-2-yl)-4-dimethoxyphoshinylmethylbenzene

: 75889-61-1
1-(benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

Guidance literature:: With phosphorous acid trimethyl ester; In nitrogen;

Reference yield:

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

: 75889-61-1
1-(benzothiazol-2-yl)-4-dimethoxyphosphinylmethylbenzene

Guidance literature:: Multi-step reaction with 2 steps

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

2: 57 percent / 0.25 h / 130 - 160 °C

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