4-(4-bromophenyl)butanoic acid
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With PPA at 90℃; for 0.25h; | 100% |
With PPA at 90℃; for 2h; | 95% |
With phosphorus pentoxide In toluene at 110℃; for 2h; Temperature; Time; | 95% |
7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With acetic acid; 1,1'-(phenyl-l3-iodanediyl)bis(pyridinium)trifluoromethanesulfonate In 1,2-dichloro-ethane at 60℃; for 1.5h; Inert atmosphere; Molecular sieve; chemoselective reaction; | 95% |
With pivalaldehyde In toluene at 40℃; for 0.5h; Flow reactor; | 90% |
4-(4-bromophenyl)-butyryl chloride
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With Fe-Al-MCM-41 molecular sieve In toluene at 60℃; for 18h; Green chemistry; | 84% |
With carbon disulfide; aluminium trichloride at 0℃; |
3,4-dihydronaphthalene-1(2H)-one
A
7-bromo-3,4-dihydro-2H-naphthalen-1-one
B
5-bromo-1-tetralone
Conditions | Yield |
---|---|
With bromine; aluminum (III) chloride at 80℃; | A 42% B 51% |
With aluminum (III) chloride; bromine at 75 - 80℃; for 0.55h; | A 42% B 51% |
Stage #1: 3,4-dihydronaphthalene-1(2H)-one With aluminum (III) chloride at 75 - 80℃; for 0.216667h; Stage #2: With bromine for 0.333333h; | A 42% B 51% |
3,4-dihydronaphthalene-1(2H)-one
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Stage #1: 3,4-dihydronaphthalene-1(2H)-one; aluminum (III) chloride at 0 - 90℃; for 0.916667h; Stage #2: With bromine at 90℃; for 1h; | 40% |
With bromine; aluminum (III) chloride |
3,4-dihydronaphthalene-1(2H)-one
B
7-bromo-3,4-dihydro-2H-naphthalen-1-one
C
5-bromo-1-tetralone
Conditions | Yield |
---|---|
Stage #1: 3,4-dihydronaphthalene-1(2H)-one With aluminum (III) chloride Under N2; Stage #2: With bromine at 80℃; for 0.0833333h; | A 20.9% B 35.8% C 28.3% |
bromobenzene
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 85 percent / aluminum chloride / 1,2-dichloro-benzene / 6 h / 83 °C 2: 82 percent / KOH; hydrazine monohydrate / triethylene glycol / 90 - 200 °C 3: 75 percent / polyphosphoric acid / 1 h / 80 °C View Scheme |
4-(4-bromophenyl)-4-oxo-butyric acid
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 82 percent / KOH; hydrazine monohydrate / triethylene glycol / 90 - 200 °C 2: 75 percent / polyphosphoric acid / 1 h / 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: 90 percent / potassium hydroxide; hydrazine / triethylene glycol / 2 h / Heating 2: 83 percent / polyphosphoric acid / 0.33 h / 90 °C View Scheme | |
Multi-step reaction with 2 steps 1: 98 percent / KOH; H2NNH2 / triethylene glycol / 2 h / 200 °C 2: 95 percent / polyphosphoric acid / 2 h / 90 °C View Scheme |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen / Pd/C / tetrahydrofuran / 3 h / 20 °C / 760.21 Torr 2: P2O5; methanesulfonic acid / 12 h / 20 °C View Scheme |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrochloric acid / H2O / 0.25 h / 20 °C 2: hydrogen / Pd/C / tetrahydrofuran / 3 h / 20 °C / 760.21 Torr 3: P2O5; methanesulfonic acid / 12 h / 20 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 85 percent / AlCl3 / 1,2-dichloro-benzene / 7 h / 95 °C 2: 98 percent / KOH; H2NNH2 / triethylene glycol / 2 h / 200 °C 3: 95 percent / polyphosphoric acid / 2 h / 90 °C View Scheme |
bromobenzene
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 69 percent / AlCl3 / cyclohexane / 0.25 h / Heating 2: 94 percent / Clemmensen procedure 3: 100 percent / PPA / 0.25 h / 90 °C View Scheme | |
Multi-step reaction with 4 steps 1: aluminium chloride 2: amalgamated zinc; aqueous hydrochloric acid; toluene / weiteres Reagens: Essigsaeure 3: thionyl chloride 4: AlCl3; carbon disulfide / 0 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / nitrobenzene / 0.5 h / 20 °C 1.2: 60 °C 2.1: palladium 10% on activated carbon; hydrogen / acetic acid / 70 °C 3.1: polyphosphoric acid / 90 °C View Scheme |
bromobenzene
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: AlCl3 2: Zn-Hg, aq. HCl 3: polyphosphoric acid View Scheme | |
Multi-step reaction with 3 steps 1: AlCl3 2: N2H4, KOH / bis-(2-hydroxy-ethyl) ether 3: polyphosphoric acid View Scheme |
4-(3-bromophenyl)-butyric acid
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With polyphosphoric acid at 90℃; |
4-(3-bromophenyl)-4-oxo-butyric acid
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / acetic acid / 70 °C 2: polyphosphoric acid / 90 °C View Scheme |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In methanol; dichloromethane at 20 - 23℃; for 1h; | 100% |
With methanol; sodium tetrahydroborate In dichloromethane at 20℃; for 1h; | 100% |
With methanol; sodium tetrahydroborate at 20℃; | 92% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
7-bromo-N-hydroxy-3,4-dihydronaphthalen-1(2H)-imine
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium acetate In ethanol for 2h; Heating / reflux; | 100% |
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 80℃; for 0.75h; | 95% |
With hydroxylamine hydrochloride; sodium acetate In ethanol at 80℃; for 2h; | 93% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
methyl iodide
7-bromo-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Conditions | Yield |
---|---|
In benzene | 100% |
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With potassium tert-butylate In tetrahydrofuran for 6h; Reflux; Stage #2: methyl iodide at 20 - 50℃; for 3.25h; | 95% |
With sodium hydride In benzene Heating; | 90% |
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With sodium hydride In tetrahydrofuran for 1h; Cooling with ice; Stage #2: methyl iodide In tetrahydrofuran at 20℃; for 16h; | 86% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
C10H11BrN2
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol for 2h; Reflux; | 100% |
With hydrazine hydrate; triethylamine In water at 95℃; for 1h; | |
With hydrazine hydrate In methanol at 80℃; for 3h; Sealed tube; Inert atmosphere; Schlenk technique; |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
carbonic acid dimethyl ester
Conditions | Yield |
---|---|
With sodium hydride In methanol; toluene at 90℃; for 2h; | 100% |
With potassium tert-butylate; sodium hydride at 0℃; Inert atmosphere; | |
With sodium hydride In mineral oil for 12h; Reflux; |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With sodium tetrahydroborate; ethanol at 20℃; Stage #2: With phosphorus tribromide In dichloromethane at 0 - 20℃; | 100% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
ethylene glycol
7-Bromo-1,2,3,4-tetrahydronaphthalene-1-spiro-2'-(1',3'-dioxacyclopentane)
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene at 105℃; for 48h; | 99% |
With toluene-4-sulfonic acid In benzene for 24h; Heating / reflux; Dean-Stark apparatus; | 99% |
With toluene-4-sulfonic acid In toluene for 12h; Heating; | 92% |
With VO(OTf)2*5H2O In benzene for 12h; Reflux; | 83% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
Conditions | Yield |
---|---|
With dimethylsulfide borane complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; toluene at -25 - -15℃; for 6.3h; 4A molecular sieves; | 98% |
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one; dimethylsulfide borane complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; toluene at -25 - -15℃; for 1.33333h; Stage #2: With methanol In tetrahydrofuran; toluene at -20 - 20℃; for 16h; | 98% |
With hydrogen; C43H45ClN4Ru; sodium t-butanolate In isopropyl alcohol at 22℃; under 7500.75 Torr; for 24h; Autoclave; enantioselective reaction; | 98% |
2,2,2-trifluoroethyl acrylate
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate In tert-Amyl alcohol at 20 - 100℃; for 12.33h; Schlenk technique; Sealed tube; regioselective reaction; | 98% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
benzaldehyde N-boc imine
Conditions | Yield |
---|---|
With 1,2,2,6,6-pentamethylpiperidine; C62H26B2F26 In toluene at 22℃; for 20h; Sealed tube; Inert atmosphere; enantioselective reaction; | 98% |
di-tert-butyl-diazodicarboxylate
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With (R,R)-(-)-2,6-bis[2-(hydroxyldiphenylmethyl)-1-pyrrolidinyl-methyl]-4-methylphenole; diethylzinc In tetrahydrofuran at 23℃; Molecular sieve; enantioselective reaction; | 98% |
chloro-trimethyl-silane
7-bromo-3,4-dihydro-2H-naphthalen-1-one
((7-bromo-3,4-dihydronaphthalen-1-yl)oxy)trimethylsilane
Conditions | Yield |
---|---|
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With triethylamine at 20℃; for 0.25h; Inert atmosphere; Stage #2: chloro-trimethyl-silane for 0.666667h; Inert atmosphere; Stage #3: With sodium iodide In acetonitrile at 40℃; for 2h; | 96% |
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 2h; Metallation; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Substitution; Silylation; | 92% |
With triethylamine; sodium iodide In acetonitrile at 20℃; for 0.5h; Inert atmosphere; | 69% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
4-bromo-benzaldehyde
(E)-7-bromo-2-(4-bromobenzylidene)-1-tetralone
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 20℃; for 48h; | 96% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
4-Phenylbenzaldehyde
(E)-2-(biphenyl-4-ylmethylene)-7-bromo-1-tetralone
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 20℃; for 48h; | 96% |
2-diazo-3-phenyl-propionic acid ethyl ester
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
Stage #1: 7-bromo-3,4-dihydro-2H-naphthalen-1-one With C43H64N4O4; lithium carbonate; scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-diazo-3-phenyl-propionic acid ethyl ester In dichloromethane at 20℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 96% |
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water at 25℃; for 28h; | 96% |
N,N-phenylbistrifluoromethane-sulfonimide
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With potassium hexamethylsilazane In tetrahydrofuran; toluene at -78 - 20℃; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride In triethylamine; N,N-dimethyl-formamide at 80℃; under 2068.6 Torr; | 95% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
6-bromo-1,2,3,4-tetrahydronaphthalene
Conditions | Yield |
---|---|
With triethylsilane In trifluoroacetic acid at 20℃; | 95% |
With triethylsilane; trifluoroacetic acid at 20 - 50℃; for 4h; | 94% |
With indium(III) chloride; dimethylmonochlorosilane In dichloromethane at 0℃; for 14h; | 32% |
With triethylsilane; trifluoroacetic acid at 0 - 35℃; |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium acetate In ethanol for 2h; Reflux; | 95% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
dimethyl sulfoxide
Conditions | Yield |
---|---|
With iodine at 80℃; for 12h; Inert atmosphere; | 95% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
N,N-dimethyl-formamide
7-bromo-1-chloro-3,4-dihydronaphthalene-2-aldehyde
Conditions | Yield |
---|---|
With trichlorophosphate In Trichloroethylene at 60 - 70℃; for 6h; Chlorination; | 94% |
With trichlorophosphate Vilsmeier-Haack Formylation; |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Methyltriphenylphosphonium bromide
7-bromo-1-methylene-1,2,3,4-tetrahydronaphthalene
Conditions | Yield |
---|---|
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: 7-bromo-3,4-dihydro-2H-naphthalen-1-one In tetrahydrofuran at 20℃; Inert atmosphere; | 93% |
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at -45℃; for 1h; Stage #2: 7-bromo-3,4-dihydro-2H-naphthalen-1-one In tetrahydrofuran at -45 - 20℃; | 52% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
7-Bromo-1,2,3,4-tetrahydronaphthalene-1-spiro-2'-(1',3'-dioxacyclopentane)
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene Dean Stark; | 92% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
benzaldehyde
7-benzylidene-2-bromo-α-tetralone
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 20℃; for 48h; | 92% |
With potassium hydroxide In methanol; water at 20℃; for 12h; | 91% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
ammonium carbonate
7'-bromo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione
Conditions | Yield |
---|---|
Stage #1: potassium cyanide; 7-bromo-3,4-dihydro-2H-naphthalen-1-one; ammonium carbonate With sodium hydrogensulfite In ethanol at 130℃; for 24h; Stage #2: With hydrogenchloride In ethanol; water pH=~ 2; | 92% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
N-(but-3-en-1-yloxy)carbamic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
With bis(3,5,3′,5′-dimethoxydibenzylideneacetone)palladium(0); C42H68NO3PS; caesium carbonate In tert-butyl methyl ether at 30℃; for 48h; Inert atmosphere; enantioselective reaction; | 91% |
7-bromo-3,4-dihydro-2H-naphthalen-1-one
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In methanol for 7h; | 90% |
The 7-Bromo-3,4-dihydro-1(2h)-naphthalenone is a kind of benzocycles with the formula C10H9BrO. The IUPAC name of this product is 7-bromo-3,4-dihydro-2H-naphthalen-1-one. With the CAS registry number 32281-97-3, it is also named as 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-; 7-Bromo-1-tetralone. Thic chemical is yellow solid which is used as pharmaceutical intermediates. It must be stored in cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)Index of Refraction: 1.598; (6)Molar Refractivity: 50.85 cm3; (7)Molar Volume: 148.9 cm3; (8)Polarizability: 20.16×10-24 cm3; (9)Surface Tension: 46.4 dyne/cm; (10)Enthalpy of Vaporization: 55.28 kJ/mol; (11)Vapour Pressure: 0.000548 mmHg at 25°C; (12)XLogP3-AA: 2.7; (13)Tautomer Count: 2; (14)Exact Mass: 223.983678; (15)MonoIsotopic Mass: 223.983678; (16)Topological Polar Surface Area: 17.1; (17)Heavy Atom Count: 12; (18)Complexity: 190.
When you are using this chemical, please be cautious about it as the following. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: Brc2ccc1c(C(=O)CCC1)c2;
2.InChI: InChI=1/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2;
3.InChIKey: YGVDCGFUUUJCDF-UHFFFAOYAP.
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