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CAS No.: | 32281-97-3 |
---|---|
Name: | 7-Bromo-1-tetralone |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C10H9BrO |
Molecular Weight: | 225.085 |
Synonyms: | 7-Bromo-1,2,3,4-Tetrahydronaphthalen-1-one;7-Bromo-3,4-dihydro-1(2H)-naphthalenone;7-Bromo-3,4-dihydro-2H-naphthalen-1-one;NSC 74917; |
Density: | 1.511 g/cm3 |
Melting Point: | 78 °C |
Boiling Point: | 311.9 °C at 760 mmHg |
Flash Point: | 103.5 °C |
Appearance: | Yellow solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 2.96810 |
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 |
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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.