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4-(3,4-Dichlorophenyl)-1-tetralone
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Name

4-(3,4-Dichlorophenyl)-1-tetralone

 EINECS N/A
CAS No. 79560-19-3 Density 1.318 g/cm3
PSA 17.07000 LogP 5.10180
Solubility N/A Melting Point 97-99 °C
Formula C16H12Cl2O Boiling Point 403 °C at 760 mmHg
Molecular Weight 291.177 Flash Point 170.3 °C
Transport Information N/A Appearance off-white crystalline solid
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 79560-19-3 (4-(3,4-Dichlorophenyl)-1-tetralone) Hazard Symbols IrritantXi
Synonyms

4-(3,4-Dichloropheny1)–1-tetralone;4-(3,4-Dichorophenyl)-3,4-dihydro--1-(2H)-naphthalenone;4-(3',4'-Dichlorophenyl)-1-tetralone;Dichlorophenyltetralone;4-(3,4-Dichlorophenyl)-1-Tetralone (Intermediate of Sertraline);4-(3,4-Dichlorophenyl)tetralone;4-(3,4-Dichlorophenyl)3,4-Dihydro-1(2H)-Naphthalenone;

Article Data 29

4-(3,4-Dichlorophenyl)-1-tetralone Synthetic route

866018-46-4

4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-naphthalen-1-ol

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With oxygen; sodium hydride In tetrahydrofuran at 0 - 20℃; for 5h;98%
With acetone In toluene at 80℃; for 0.333333h; Flow reactor;95%
With pyridinium chlorochromate In dichloromethane at 20℃; for 8h; Inert atmosphere;80%
95609-48-6

rac-5-(3,4-dichlorophenyl)dihydrofuran-2(3H)-one

71-43-2

benzene

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With hydrogen fluoride for 18h; Ambient temperature;97%
79560-18-2

4-(3,4-dichlorophenyl)-4-phenylbutanoic acid

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; trifluoroacetic anhydride In dichloromethane at 40 - 45℃; for 5h; Product distribution / selectivity;93%
With chlorosulfonic acid In dichloromethane at 20℃; for 1h;87%
With Eaton’s reagent at 20℃; Inert atmosphere;83%
Stage #1: 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid With sulfuric acid In benzene at 23 - 80℃; for 8h;
Stage #2: With sodium hydroxide In water Product distribution / selectivity;		65%
Multi-step reaction with 2 steps
1: SOCl2 / toluene / 1.25 h
2: AlCl3 / CS2 / 16 h / Ambient temperature
View Scheme
90-15-3

α-naphthol

95-50-1

1,2-dichloro-benzene

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With aluminum (III) chloride at 100℃; for 1.5h; Inert atmosphere;82%
Stage #1: α-naphthol; 1,2-dichloro-benzene With aluminum (III) chloride at 65℃; for 5h;
Stage #2: With water In ethyl acetate for 0.5h;		82%
With aluminium trichloride at 100℃; for 1h;80%

4-(3,4-dichlorophenyl)tetrahydronaphthalone tosylhydrazone

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 3.5h; Oxidation; oxidative cleavage;80%
90-15-3

α-naphthol

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With aluminum tri-bromide In methanol; water; 1,2-dichloro-benzene79.6%

(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide

95-50-1

1,2-dichloro-benzene

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 50℃; for 16h; Friedel Crafts acylation; Inert atmosphere;76%
di-isopropylic ether

di-isopropylic ether

90-15-3

α-naphthol

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
aluminium chloride In water; 1,2-dichloro-benzene50.9%

4-bromomethylene-1-(3,4-dichlorophenyl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydronaphthalene

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
Stage #1: 4-bromomethylene-1-(3,4-dichlorophenyl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydronaphthalene With osmium(VIII) oxide In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; water at 25℃; for 2h; Inert atmosphere;
Stage #2: With sodium periodate In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; water at 25℃; for 1h; Inert atmosphere;		47%
90-15-3

α-naphthol

95-50-1

1,2-dichloro-benzene

A

4-(2,3-dichlorophenyl)-3,4-dihydro-1(2H)-naphthone

B

79560-19-3

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Conditions
ConditionsYield
With aluminum (III) chloride at 100℃; for 4h; Inert atmosphere;A n/a
B 45%
With aluminum (III) chloride at 100℃; for 4h;A n/a
B 45%
Stage #1: α-naphthol; 1,2-dichloro-benzene With aluminum (III) chloride at 98℃; for 1.5h;
Stage #2: With water In ethyl acetate for 0.5h;		A 6.2 g
B n/a

4-(3,4-Dichlorophenyl)-1-tetralone Specification

The 4-(3,4-Dichlorophenyl)-1-tetralone, with its CAS registry number 79560-19-3, has the systematic name of 4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one. For being a kind of off-white crystalline solid, its product categories are including Miscellaneous; Intermediatesofsertraline; API intermediates; (intermediate of sertraline); Setraline; Miscellaneous Reagents. Besides, it is irritant which may cause inflammation to the skin or other mucous membranes, so you chould wear suitable protective clothing.

The characteristics of this chemical are as below: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0   ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 ; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 77.4 cm3; (9)Molar Volume: 220.8 cm3; (10)Polarizability: 30.68×10-24 cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.318 g/cm3; (13)Flash Point: 170.3 °C; (14)Enthalpy of Vaporization: 65.42 kJ/mol; (15)Boiling Point: 403 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-06 mmHg at 25°C.

Production method of this chemical: benzene could react with 5-(3,4-dichlorophenyl)dihydro-2(3H)-furanone to produce 4-(3,4-Dichlorophenyl)-1-tetralone. This reaction could happen in the presence of the reagent of anh. hydrogen fluoride, and it requires the reaction time of 18 hours while in the condition of Ambient temperature. Besides, its yield is 97%.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)SMILES:Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3
(2)InChI:InChI=1/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2
(3)InChIKey:JGMBHJNMQVKDMW-UHFFFAOYAE

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