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7-Bromo-1-tetralone
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Name

7-Bromo-1-tetralone

 EINECS N/A
CAS No. 32281-97-3 Density 1.511 g/cm3
PSA 17.07000 LogP 2.96810
Solubility N/A Melting Point 78 °C
Formula C10H9BrO Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 225.085 Flash Point 103.5 °C
Transport Information N/A Appearance Yellow solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32281-97-3 (7-Bromo-1-tetralone) Hazard Symbols IrritantXi
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;

Article Data 40

7-Bromo-1-tetralone Synthetic route

35656-89-4

4-(4-bromophenyl)butanoic acid

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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%
75693-15-1

7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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%
6628-03-1

4-(4-bromophenyl)-butyryl chloride

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With Fe-Al-MCM-41 molecular sieve In toluene at 60℃; for 18h; Green chemistry;84%
With carbon disulfide; aluminium trichloride at 0℃;
529-34-0

3,4-dihydronaphthalene-1(2H)-one

A

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

B

68449-30-9

5-bromo-1-tetralone

Conditions
ConditionsYield
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%
529-34-0

3,4-dihydronaphthalene-1(2H)-one

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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
529-34-0

3,4-dihydronaphthalene-1(2H)-one

A

Reaxys ID: 11943741

Reaxys ID: 11943741

B

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

C

68449-30-9

5-bromo-1-tetralone

Conditions
ConditionsYield
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%
108-86-1

bromobenzene

(hexacarbonyl)chromium

(hexacarbonyl)chromium

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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
6340-79-0

4-(4-bromophenyl)-4-oxo-butyric acid

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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

4-(4-bromophenyl)-3-butenoic acid

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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

C22H35BrO2Sn

32281-97-3

7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
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

7-Bromo-1-tetralone Specification

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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