CAS No.32281-97-3,7-Bromo-1-tetralone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	32281-97-3
Name:	7-Bromo-1-tetralone
Article Data:	40

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

Synthetic route

: 35656-89-4
4-(4-bromophenyl)butanoic acid

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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%

: 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

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%

: 6628-03-1
4-(4-bromophenyl)-butyryl chloride

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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℃;

: 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

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%

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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

: 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

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%

...Expand

: 108-86-1
bromobenzene

(hexacarbonyl)chromium: (hexacarbonyl)chromium

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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

: 6340-79-0
4-(4-bromophenyl)-4-oxo-butyric acid

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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

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

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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

: C22H35BrO2Sn

: 32281-97-3
7-bromo-3,4-dihydro-2H-naphthalen-1-one

Conditions

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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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.