Product Name

  • Name

    1,3-DIISOPROPYLBENZENE

  • EINECS
  • CAS No. 99-62-7
  • Article Data78
  • CAS DataBase
  • Density 0.855g/cm3
  • Solubility Soluble in water 4.33 mg/L at 25°C.
  • Melting Point −63 °C(lit.)
  • Formula C12H18
  • Boiling Point 203 °C(lit.)
  • Molecular Weight 162.275
  • Flash Point 76.7°C
  • Transport Information
  • Appearance CLEAR COLOURLESS LIQUID
  • Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
  • Risk Codes 33
  • Molecular Structure Molecular Structure of 99-62-7 (1,3-DIISOPROPYLBENZENE)
  • Hazard Symbols
  • Synonyms Benzene,m-diisopropyl- (8CI); 1,3-Bis(1-methylethyl)benzene; 1,3-Diisopropylbenzene;m-Di-iso-propylbenzene; m-Diisopropylbenzene; m-Diisopropylbenzene
  • PSA 0.00000
  • LogP 3.93340

Synthetic route

1,3-bis(1-methylethenyl)-benzene
3748-13-8

1,3-bis(1-methylethenyl)-benzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h;88%
2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With n-Butyl nitrite at 60℃; for 5h;82%
Multi-step reaction with 2 steps
1.1: hydrogenchloride; sodium nitrite / water; ethanol / 1 h / 0 °C / Inert atmosphere
1.2: 0.83 h / Inert atmosphere; Reflux
2.1: C52H49PRu; potassium phosphate monohydrate; bis(dibenzylideneacetone)-palladium(0); Ethyl 4-bromobenzoate / 1,4-dioxane / 4 h / 100 °C / Inert atmosphere
View Scheme
2,6-di(isopropyl)-N-methyleneaniline
60090-48-4

2,6-di(isopropyl)-N-methyleneaniline

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

Conditions
ConditionsYield
With n-Butyl nitrite at 40℃; for 20h;A 70%
B n/a
2-isopropoxyphenylboronic acid
138008-97-6

2-isopropoxyphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,2′-diisopropoxybiphenyl
1235963-96-8

2,2′-diisopropoxybiphenyl

C

2,6-diisopropyl-2'-isopropoxybiphenyl
1482498-24-7

2,6-diisopropyl-2'-isopropoxybiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;A 5%
B 13%
C 69%
2-Methylphenylboronic acid
16419-60-6

2-Methylphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,2'-dimethyl-1,1'-biphenyl
605-39-0

2,2'-dimethyl-1,1'-biphenyl

C

2,6-diisopropyl-2'-methylbiphenyl
1482498-18-9

2,6-diisopropyl-2'-methylbiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;A 14%
B 27%
C 64%
n-Butyl nitrite
544-16-1

n-Butyl nitrite

2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2-Butoxy-1,3-diisopropylbenzene
32604-41-4

2-Butoxy-1,3-diisopropylbenzene

C

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With tetrachloromethane for 5h;A n/a
B 10%
C 58%
2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2-Butoxy-1,3-diisopropylbenzene
32604-41-4

2-Butoxy-1,3-diisopropylbenzene

C

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With tetrachloromethane; n-Butyl nitrite for 5h;A n/a
B 10%
C 58%
Ge2{C6H3(CH(CH3)2)2}3Li*2(CH3OC2H4OCH3)

Ge2{C6H3(CH(CH3)2)2}3Li*2(CH3OC2H4OCH3)

A

1-methoxy-1,2,2-tris(diisopropylphenyl)germane
125346-79-4

1-methoxy-1,2,2-tris(diisopropylphenyl)germane

B

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With methanol In 1,2-dimethoxyethane under protective gas, MeOH is vac.-transfered at -78°C to suspn. of Ge compd. in DME, warming to 20°C; evapn., crystn. (hexane) yields Ge compd.;A 54%
B n/a
2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

copper(I) cyanide
544-92-3

copper(I) cyanide

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

1,3-diisopropyl-2-nitrobenzene
91563-76-7

1,3-diisopropyl-2-nitrobenzene

C

2,6-diisopropylphenyl isocyanide
154079-07-9

2,6-diisopropylphenyl isocyanide

D

1,3-Diisopropyl-2-nitrosooxy-benzene

1,3-Diisopropyl-2-nitrosooxy-benzene

Conditions
ConditionsYield
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h;A 13%
B 9%
C 52%
D n/a
2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

1,3-diisopropyl-2-nitrobenzene
91563-76-7

1,3-diisopropyl-2-nitrobenzene

C

2,6-diisopropylphenyl isocyanide
154079-07-9

2,6-diisopropylphenyl isocyanide

D

1,3-Diisopropyl-2-nitrosooxy-benzene

1,3-Diisopropyl-2-nitrosooxy-benzene

Conditions
ConditionsYield
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h;A 13%
B 9%
C 52%
D n/a
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Title compound not separated from byproducts;A 13%
B 9%
C 52%
D n/a
2-Biphenylboronic acid
4688-76-0

2-Biphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,2'-diphenylbiphenyl
641-96-3

2,2'-diphenylbiphenyl

C

2,6-diisopropyl-2'-phenylbiphenyl
1482498-21-4

2,6-diisopropyl-2'-phenylbiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 17.5h; Suzuki-Miyaura Coupling; Inert atmosphere;A 11%
B 39%
C 38%
2-ethylphenyl boronic acid
90002-36-1

2-ethylphenyl boronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

1,1'-Biphenyl, 2,2'-diethyl
13049-35-9

1,1'-Biphenyl, 2,2'-diethyl

C

2,6-diisopropyl-2'-ethylbiphenyl
1482498-19-0

2,6-diisopropyl-2'-ethylbiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;A 8%
B 22%
C 31%
2-isopropylphenylboronic acid
89787-12-2

2-isopropylphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,2’-diisopropylbiphenyl
36919-88-7, 151378-45-9, 151378-46-0

2,2’-diisopropylbiphenyl

C

2,2',6-trisopropylbiphenyl
1482498-20-3

2,2',6-trisopropylbiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4.5h; Suzuki-Miyaura Coupling; Inert atmosphere;A 12%
B 14%
C 27%
2,6-di(isopropyl)-N-methyleneaniline
60090-48-4

2,6-di(isopropyl)-N-methyleneaniline

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2,6-diisopropylbenzenamine
24544-04-5

2,6-diisopropylbenzenamine

C

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With n-Butyl nitrite; dichloromethane at 40℃; for 20h; Product distribution; other time, other temp., also with CCl4;A 25%
B n/a
C 25%
2,6-di(isopropyl)-N-methyleneaniline
60090-48-4

2,6-di(isopropyl)-N-methyleneaniline

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

2-chloro-1,3-bis(1-methylethyl)benzene

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With n-Butyl nitrite; dichloromethane at 40℃; for 20h;A 25%
B 25%
propene
187737-37-7

propene

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

ethylbenzene
100-41-4

ethylbenzene

D

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

E

toluene
108-88-3

toluene

Conditions
ConditionsYield
A-45 zeolite at 200℃; Product distribution; Rate constant; Mechanism; var. ratio of reactants, oth. temperature, effect of size of catalyst particles;A 14.7%
B 0.5%
C 2.1%
D 1.1%
E 0.4%
(Z)-2-Butene
590-18-1

(Z)-2-Butene

propene
187737-37-7

propene

propane
74-98-6

propane

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

D

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
specimen (II) at 40℃; Product distribution;A 14.6%
B 1.7%
C n/a
D n/a
(Z)-2-Butene
590-18-1

(Z)-2-Butene

propene
187737-37-7

propene

propane
74-98-6

propane

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

D

1,2,4-triisopropylbenzene
948-32-3

1,2,4-triisopropylbenzene

E

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
specimen (I) at 40℃; Product distribution;A 14%
B 1.5%
C n/a
D 0.6%
E n/a
C19H23N2O2S(1-)*Na(1+)

C19H23N2O2S(1-)*Na(1+)

A

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

B

1-isopropyl-3-(prop-1-en-2-yl)benzene

1-isopropyl-3-(prop-1-en-2-yl)benzene

C

8-isopropyliden-4-methyl-anti-tricyclo<3.3.0.02,4>oct-6-en

8-isopropyliden-4-methyl-anti-tricyclo<3.3.0.02,4>oct-6-en

Conditions
ConditionsYield
at 110 - 130℃; under 0.01 Torr; for 4h;A 9%
B 3%
C 9%
1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,3,5-triisopropyl benzene
717-74-8

1,3,5-triisopropyl benzene

C

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

D

1,2,4-triisopropylbenzene
948-32-3

1,2,4-triisopropylbenzene

E

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
at 199.99 - 234.99℃; under 36961.4 Torr; Product distribution / selectivity;A 2.6%
B 2.9%
C 8.3%
D 1.3%
E 0.1%
Isopropylbenzene
98-82-8

Isopropylbenzene

propene
187737-37-7

propene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With aluminium trichloride at 60℃;
With aluminium trichloride
With aluminium silicate-catalyst at 120 - 250℃; under 44130.5 Torr;
With aluminum (III) chloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride at 50℃; under 2700.27 Torr; Kinetics; Temperature; Pressure; Friedel Crafts alkylation;
With phosphoric acid; silica gel at 240℃; under 25742.8 Torr;
Isopropylbenzene
98-82-8

Isopropylbenzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With tetrafluoroboric acid at -5℃;
1,2,4-triisopropylbenzene
948-32-3

1,2,4-triisopropylbenzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With aluminium trichloride at 60℃;
1,2,4,5-tetraisopropylbenzene
635-11-0

1,2,4,5-tetraisopropylbenzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With silicotungstic acid silica gel-catalyst; benzene at 200℃;
propene
187737-37-7

propene

benzene
71-43-2

benzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With aluminium silicate-catalyst at 120 - 250℃; under 44130.5 Torr;
With aluminium trichloride
With aluminium trichloride at 70℃;
propene
187737-37-7

propene

isopropyl chloride
75-29-6

isopropyl chloride

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

D

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
silica-alumina or zeolite Al silicate at 25 - 65℃; for 5h; Mechanism; Product distribution; Irradiation; the reaction was studied also without irradiation;
propene
187737-37-7

propene

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3,5-triisopropyl benzene
717-74-8

1,3,5-triisopropyl benzene

D

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

E

1,2,4-triisopropylbenzene
948-32-3

1,2,4-triisopropylbenzene

F

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
aluminosilicate (15percent Al2O3) at 40℃; Product distribution; other catalysts (Ga, In, Mg, La silicates);A 17.5 % Chromat.
B 1.9 % Chromat.
C 0.2 % Chromat.
D n/a
E 0.9 % Chromat.
F n/a
propene
187737-37-7

propene

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3,5-triisopropyl benzene
717-74-8

1,3,5-triisopropyl benzene

D

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

E

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

Conditions
ConditionsYield
aluminosilicate at 70℃; Rate constant; Product distribution; effect of the composition and amount of catalysts, reaction time and temperature;
zeolite beta CP 786 catalyst at 132 - 133℃; under 15757.7 - 15809.5 Torr; Product distribution / selectivity;
propene
187737-37-7

propene

benzene
71-43-2

benzene

A

Isopropylbenzene
98-82-8

Isopropylbenzene

B

1,4-bis(1-methylethyl)benzene
100-18-5

1,4-bis(1-methylethyl)benzene

C

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

D

1,2,4-triisopropylbenzene
948-32-3

1,2,4-triisopropylbenzene

E

1,2-diisopropylbenzene
577-55-9

1,2-diisopropylbenzene

F

tris-(isopropyl)benzene
2083-67-2

tris-(isopropyl)benzene

Conditions
ConditionsYield
metal oxide-aluminosilicate at 40℃; Product distribution; various metal oxides in the catalyst;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1,3-di-isopropyl-4-nitrobenzene
33696-11-6

1,3-di-isopropyl-4-nitrobenzene

Conditions
ConditionsYield
With nitric acid In acetic anhydride; acetic acid at 0 - 20℃; for 1.33333h;98%
With nitronium tetrafluoborate In sulfolane
In acetic anhydride nitration;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

4-mercapto-cumene
4946-14-9

4-mercapto-cumene

4-isopropylthioxanthone

4-isopropylthioxanthone

Conditions
ConditionsYield
Stage #1: 1,3-diisopropylbenzene; 4-mercapto-cumene With sodium hydroxide; ortho-chlorobenzoic acid at 190℃; for 8h;
Stage #2: With chlorosulfonic acid; sulfuric acid at 60℃; for 1h;
94.2%
trimethylsilyl trifluoromethanesulfonate
27607-77-8

trimethylsilyl trifluoromethanesulfonate

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

(4-nitrophenyl)-λ3-iodanediyl diacetate
19169-99-4

(4-nitrophenyl)-λ3-iodanediyl diacetate

(2,4-diisopropylphenyl)-(4’-nitrophenyl)iodonium triflate

(2,4-diisopropylphenyl)-(4’-nitrophenyl)iodonium triflate

Conditions
ConditionsYield
In acetonitrile at 23℃; Glovebox; Inert atmosphere;93%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1-iodo-2,4-diisopropylbenzene

1-iodo-2,4-diisopropylbenzene

Conditions
ConditionsYield
With iodine; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane In acetonitrile at 55 - 65℃; for 3h;89%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1,5-diisopropylcyclohexa-1,4-diene
1291093-63-4

1,5-diisopropylcyclohexa-1,4-diene

Conditions
ConditionsYield
With N,N'-Dimethylurea; tris(pyrrolidino)phosphine oxide; lithium bromide In tetrahydrofuran at 20℃; Electrochemical reaction;85%
With ethanol; ammonia; sodium Birch reduction; Cooling with dry ice; Inert atmosphere;45%
With ethanol; ammonia; sodium for 0.416667h; Birch reaction; Inert atmosphere; Cooling; Reflux; regioselective reaction;45%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

bis(pinacol)diborane
73183-34-3

bis(pinacol)diborane

1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene
1025719-26-9

1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene

Conditions
ConditionsYield
With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine Glovebox; Inert atmosphere;83%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In tetrahydrofuran at 80℃; for 16h;
rac-[Zr(ethylenebis(tetrahydro)indenyl)(Me)(NHCMe3)]

rac-[Zr(ethylenebis(tetrahydro)indenyl)(Me)(NHCMe3)]

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

rac-[Zr(ethylenebis(tetrahydro)indenyl)(C6H3(CH(CH3)2)2)(NHCMe3)]

rac-[Zr(ethylenebis(tetrahydro)indenyl)(C6H3(CH(CH3)2)2)(NHCMe3)]

Conditions
ConditionsYield
In neat (no solvent) byproducts: CH4; heating of mixt. of Zr(Me)(NHCMe3)((C9H10)2CH2CH2) and C6H4(CHMe2)2 at 75°C for 24 h;81%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
80-24-0

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

A

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
13387-60-5

3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene

B

2-(3-isopropyl-phenyl)-propan-2-ol
14860-89-0

2-(3-isopropyl-phenyl)-propan-2-ol

Conditions
ConditionsYield
In various solvent(s) at 110℃; Rate constant; thermal decomposition, oth. temperature;A n/a
B 80%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

chromium(0) hexacarbonyl
199620-14-9, 13007-92-6

chromium(0) hexacarbonyl

meta-diisopropylbenzenetricarbonylchromium
32759-04-9

meta-diisopropylbenzenetricarbonylchromium

Conditions
ConditionsYield
In tetrahydrofuran; dibutyl ether refluxing under argon vac. for 72 h;; filtration, recrystn. from acetone;;80%
boiling;;44%
methanol
67-56-1

methanol

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1,3-bis(1-methoxy-1-methylethyl)benzene
174142-54-2

1,3-bis(1-methoxy-1-methylethyl)benzene

Conditions
ConditionsYield
With potassium bromate In tert-butyl methyl ether; water Electrochemical reaction;80%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene
1025719-26-9

1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene

Conditions
ConditionsYield
With Ir(indenyl)(cyclooctadiene); bis(dimethylphosphino)ethane In neat (no solvent) (N2); stirring a mixt. of 1,3-diisopropylbenzene, Ir complex, diphosphine and boron compd. at room temp. for 20 min, heating at 130°C for28 h, cooling to room temp.; pouring into CH2Cl2, filtration through silica pad, washing with CH2Cl2,concn. in vac., distillation of diisopropylbenzene in vac., crystn. (et her, 0°C); elem. anal.;78.4%
With C47H55N2Ni at 100℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;43%
1,3-dibromobenzene
108-36-1

1,3-dibromobenzene

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

triethyl phosphite
122-52-1

triethyl phosphite

tetraethyl 1,3-benzenediphosphonate
25944-79-0

tetraethyl 1,3-benzenediphosphonate

Conditions
ConditionsYield
With nickel dibromide at 180℃; for 30h; Inert atmosphere;77.6%
gallium(III) trichloride

gallium(III) trichloride

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

C28H43GaN2

C28H43GaN2

Conditions
ConditionsYield
Stage #1: gallium(III) trichloride With lithium hydride In diethyl ether at -10℃; for 6h; Inert atmosphere;
Stage #2: 1,3-diisopropylbenzene In diethyl ether at -78℃;
76%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

ethyl acrylate
140-88-5

ethyl acrylate

(E)-ethyl 3-(3,5-diisopropylphenyl)acrylate

(E)-ethyl 3-(3,5-diisopropylphenyl)acrylate

Conditions
ConditionsYield
With dimethyl 2-((6-methylpyridin-3-yl)methylene)malonate; silver(I) acetate; palladium diacetate; N-acetylglycine at 90℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube; regioselective reaction;76%
phthalic anhydride
85-44-9

phthalic anhydride

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

2-(2',4'-diisopropylbenzoyl)benzoic acid
251538-24-6

2-(2',4'-diisopropylbenzoyl)benzoic acid

Conditions
ConditionsYield
With aluminium trichloride In various solvent(s) at 100℃; for 2h;74%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

C31H50IrNSiZr

C31H50IrNSiZr

C37H62IrNSiZr

C37H62IrNSiZr

Conditions
ConditionsYield
In Cyclohexane-d12 at 70℃; under 760.051 Torr; for 20h; Inert atmosphere;72%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1,5-diiodo-2,4-diisopropylbenzene

1,5-diiodo-2,4-diisopropylbenzene

Conditions
ConditionsYield
With iodine; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane In acetonitrile at 55 - 65℃; for 6h;71%
maleic anhydride
108-31-6

maleic anhydride

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

(E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid

(E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid

Conditions
ConditionsYield
Stage #1: maleic anhydride; 1,3-diisopropylbenzene With aluminum (III) chloride In dichloromethane at 20℃; Friedel-Crafts acylation;
Stage #2: With hydrogenchloride In dichloromethane; water Cooling with ice;
70%
With aluminium trichloride In dichloromethane Friedel-Crafts acylation;
With aluminum (III) chloride In dichloromethane Friedel-Crafts Acylation;
With aluminum (III) chloride In dichloromethane Friedel-Crafts Acylation;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
80-24-0

3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene

1,3-di(2-hydroperoxy-2-propyl)benzene
721-26-6

1,3-di(2-hydroperoxy-2-propyl)benzene

Conditions
ConditionsYield
With oxygen In water at 83 - 92℃; under 2250.23 Torr; for 10h; pH=9 - 11; Product distribution / selectivity;66.1%
With oxygen; sodium formate; sodium acetate; iron(II) acetate; sodium carbonate In water at 90℃; under 2250.23 Torr; for 6h; Product distribution / selectivity;
With oxygen; sodium formate; sodium acetate; sodium carbonate In water at 90℃; under 2250.23 Torr; for 6h; Product distribution / selectivity;
With oxygen at 90℃; Product distribution / selectivity;
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

O-(p-toluenesulfonyl)-N-methylhydroxylamine
25370-97-2

O-(p-toluenesulfonyl)-N-methylhydroxylamine

2,4-diisopropyl-N-methylaniline

2,4-diisopropyl-N-methylaniline

Conditions
ConditionsYield
With air at 20℃; for 72h; chemoselective reaction;66%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

1,3-diisopropyl-4,6-dinitrobenzene
77256-78-1

1,3-diisopropyl-4,6-dinitrobenzene

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; nitric acid In dichloromethane 1.) 25 deg C, 1 h, 2.) 30-38 deg C, 0.5 h;64%
With sulfuric acid; nitric acid In water at 70℃; Cooling with ice;41%
With sulfuric acid; nitric acid at 70℃;
4,4-dimethyl-4H-1-benzopyran
39689-29-7

4,4-dimethyl-4H-1-benzopyran

1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

(Z)-2-(3,5-diisopropylbenzylidene)-3,3-dimethyl-2,3-dihydrobenzofuran

(Z)-2-(3,5-diisopropylbenzylidene)-3,3-dimethyl-2,3-dihydrobenzofuran

Conditions
ConditionsYield
With silver(I) acetate; palladium diacetate; Trimethylacetic acid at 80 - 100℃; for 24h; Inert atmosphere; regioselective reaction;60%
1,3-diisopropylbenzene
99-62-7

1,3-diisopropylbenzene

N-methoxybenzamide
2446-51-7

N-methoxybenzamide

N-(2,4-diisopropylphenyl)-N-methoxybenzamide
1403251-15-9

N-(2,4-diisopropylphenyl)-N-methoxybenzamide

Conditions
ConditionsYield
With peracetic acid; trifluoroacetic acid; 2,2’-diiodo-4,4’,6,6’-tetramethylbiphenyl In 1,2-dichloro-ethane at 20℃;59%

1,3-Di(propan-2-yl)benzene Chemical Properties

IUPAC Name: 1,3-Di(propan-2-yl)benzene
The molecular formula of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is C12H18.

                                      
The molecular weight of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is 162.27.
Synonyms of 1,3-Diisopropylbenzene (CAS NO.99-62-7): Benzene, 1,3-bis(1-methylethyl)- ; 1,3-Bis(1-methylethyl)benzene ; 3-Isopropylcumene ; Benzene, 1,3-diisopropyl-
Apperance: clear colourless liquid
Index of Refraction: 1.488 
EINECS: 202-773-1
Density: 0.855 g/ml 
Flash Point: 76.7 °C 
Boiling Point: 203.2 °C
Melting Point: -63 °C
BRN: 1905828

1,3-Di(propan-2-yl)benzene Uses

 1,3-Diisopropylbenzene (CAS NO.99-62-7) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development .

1,3-Di(propan-2-yl)benzene Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 oral 3100mg/kg (3100mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 unreported 3100mg/kg (3100mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.
rat LD50 oral 7400mg/kg (7400mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
rat LD50 unreported 8630mg/kg (8630mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.

1,3-Di(propan-2-yl)benzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Di(propan-2-yl)benzene Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.Safety information of 1,3-Diisopropylbenzene (CAS NO.99-62-7):
Risk Statements  33 
R33:Danger of cumulative effects.
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  CZ6334000
HazardClass  9
PackingGroup  III

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