4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol

Base Information

Chemical Name:4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol
CAS No.:127346-69-4
Molecular Formula:C₁₈H₁₅NOS
Molecular Weight:293.389
Hs Code.:
DSSTox Substance ID:DTXSID401218369
Nikkaji Number:J3.242.270E

Synonyms:DTXSID401218369;127346-69-4;4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol

Suppliers and Price of 4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol

Supply Marketing:

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

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Chemical Property of 4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:293.08743528
Heavy Atom Count:21
Complexity:427

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol

There total 3 articles about 4-[4-(2-Benzothiazolyl)phenyl]-2-methyl-3-butyn-2-ol 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: 44.0%

: 19654-19-4
2-(4-bromophenyl)benzothiazole

: 115-19-5
2-methyl-but-3-yn-2-ol

: 127346-69-4
4-(4-(benzo-[d]thiazol-2-yl)phenyl)-2-methylbut-3-yn-2-ol

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In toluene; for 12h; Reflux;
DOI:10.1016/j.dyepig.2013.08.008

Reference yield:

: 1122-91-4
4-bromo-benzaldehyde

: 127346-69-4
4-(4-(benzo-[d]thiazol-2-yl)phenyl)-2-methylbut-3-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethyl phosphate / 0.17 h

1.2: 0.17 h / 60 °C

1.3: 0.5 h

2.1: bis-triphenylphosphine-palladium(II) chloride; triethylamine; copper(l) iodide / toluene / 12 h / Reflux

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethyl phosphate; triethylamine; In toluene;
DOI:10.1016/j.dyepig.2013.08.008

Reference yield:

: 137-07-5
2-amino-benzenethiol

: 127346-69-4
4-(4-(benzo-[d]thiazol-2-yl)phenyl)-2-methylbut-3-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: lead(IV) tetraacetate / acetic acid / 0.83 h / 60 °C

2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / triethylamine; toluene / 12 h / Reflux

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; lead(IV) tetraacetate; In acetic acid; triethylamine; toluene;
DOI:10.1039/c3dt50991e