3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
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3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
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CAS No:
56181-82-9
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Formula:
C22H19BrO
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Chemical Name:
3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
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Synonyms:
1-Naphthalenol,3-(4′-bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-;3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol;3-(4′-Bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
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CAS No:
3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol Basic Attributes
379.29
379.29
260-038-0
Characteristics
20.2
5.87950
Cream To Pale Solid Powder.
1.359 g/cm3
512.8ºC at 760 mmHg
263.9ºC
1.646
Safety Information
P280, P302+P352, P312, P322, P363, P501
H312
|Warning|H312 (98.89%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P280, P302+P352, P312, P322, P363, and P501|Aggregated GHS information provided by 90 companies from 2 notifications to the ECHA C&L Inventory.
3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol Use and Manufacturing
The preparation method is that 2-(4'-bromo-4-biphenyl)-2-bromoethylbenzene and diethyl malonate are added with sodium hydride in DMF solvent, heated to 90°C and reacted for 6h, cooled and poured into Solid precipitated out in water, filtered, and then reacted with potassium hydroxide ethanol solution to reflux for 6h, acidified in water, filtered to obtain 2-[2-(4'-bromo-4-biphenyl)phenethyl]malonic acid. Add the above malonic acid derivative and polyphosphoric acid to the reaction flask, react at 160~170℃ for 2h, add toluene after cooling, wash with water, and remove the toluene to obtain 3-(4-bromo-4-biphenyl)tetralone This naphthone was reduced with potassium borohydride in absolute ethanol, the reaction temperature was 81°C, refluxed for 3 hours, cooled, poured into water, filtered, washed with water, and dried to obtain the product.
3-(4′-Bromo-4-biphenyl)-1,2,3,4-tetrahydro-1-naphthol is an intermediate of the rodenticides bromocarb and thiabendazole.
1-Naphthalenol, 3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-: INACTIVE
Computed Properties
Molecular Weight:379.3
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:378.06193
Monoisotopic Mass:378.06193
Topological Polar Surface Area:20.2
Heavy Atom Count:24
Complexity:395
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
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