1,3-Diisopropenylbenzene supplier

Name
1,3-Diisopropenylbenzene
EINECS
CAS No. 3748-13-8
Article Data8
CAS DataBase
Density 0.873g/cm³
Solubility 5.6mg/L at 25℃
Melting Point -40 °C
Formula C12H14
Boiling Point 231°Cat760mmHg
Molecular Weight 158.243
Flash Point 91.1°C
Transport Information
Appearance
Safety Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes 36/37/38-50/53
Molecular Structure
Hazard Symbols
Synonyms Benzene,m-diisopropenyl- (6CI,7CI,8CI); 1,3-Bis(1-methylethenyl)benzene;1,3-Diisopropenylbenzene; m-Bis(1-methylvinyl)benzene; m-Diisopropenylbenzene
PSA 0.00000
LogP 3.75280

Synthetic route

: 6781-42-6
1,3-diacetylbenzene

: 1779-49-3
Methyltriphenylphosphonium bromide

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

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: 1,3-diacetylbenzene In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	68%

: C18H25ClO4PdS2

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

: [Pd(μ-methyl thioglycolate(-1H))2]8

Conditions

Conditions	Yield
In diethyl ether; [D3]acetonitrile; water at 90℃; for 10h; Inert atmosphere; Schlenk technique;	A 6% B 65%

poly(methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester): poly(methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester)

A poly(methacrylic acid) Mw=18000, PDI=3.5: poly(methacrylic acid) Mw=18000, PDI=3.5

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

Conditions

Conditions	Yield
at 180℃; for 0.166667h; Product distribution; Further Variations:; Temperatures; with or without irradiation;

: 1999-85-5
1,3-bis(1',1'-dimethylhydroxymethyl)benzene

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

Conditions

Conditions	Yield
sulfuric acid In 4-methyl-2-pentanone at 90℃; under 760.051 Torr; for 0.666667h; Product distribution / selectivity;

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

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

: dimethyl 3,3'-(1,3-phenylene)dibutyrate

Conditions

Conditions	Yield
With 1,3-bis(tert-butyl(pyridin-2-yl)phosphanyl)propane; palladium(II) acetylacetonate; toluene-4-sulfonic acid for 20h; Sealed tube; Inert atmosphere; Autoclave;	99%
With platinum(II) bis(acetylacetonate); C28H36P2; toluene-4-sulfonic acid at 120℃; under 30402 Torr; for 20h; Sealed tube; Inert atmosphere; Autoclave;	86%

...Expand

: 201230-82-2
carbon monoxide

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

: 3,3'-(1,3-phenylene)dibutyric acid

Conditions

Conditions	Yield
With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid at 20 - 100℃; under 30003 Torr; for 20h; Inert atmosphere; Autoclave;	99%

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

: 401515-97-7
2-pyridylmethyl formate

: 3-(3-isopropenyl-phenyl)-butyric acid pyridin-2-ylmethyl ester

Conditions

Conditions	Yield
With dodecacarbonyl-triangulo-triruthenium In tetrahydrofuran at 135℃; for 12h;	91%
With tetra-(n-butyl)ammonium iodide; dodecacarbonyl-triangulo-triruthenium In tetrahydrofuran at 90℃; for 12h;	85%

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

: 1,3-bis(1-azido-2-chloropropan-2-yl)benzene

Conditions

Conditions	Yield
With chlorine azide In water; toluene at 20℃; for 0.0188889h; Flow reactor;	91%

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

: 99-62-7
1,3-diisopropylbenzene

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h;	88%

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

: 670-54-2
ethenetetracarbonitrile

: 134782-06-2
1,1,2,2,5,5,6,6-Octacyano-1,1a,2,3,5a,5,6,7-octahydro-4,8-dimethylphenanthrene

Conditions

Conditions	Yield
In acetonitrile at 28℃; for 1h;	87%

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

: 443988-54-3
benzyl 2-triethylsilyl-2-oxoacetate

: benzyl 2-hydroxy-4-(3-(prop-1-en-2-yl)phenyl)-2-(triethylsilyl)-pent-4-enoate

Conditions

Conditions	Yield
With zinc(II) chloride In dichloromethane; water at 20℃; for 17h; Schlenk technique;	82%

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

: 109-77-3
malononitrile

: 1551163-36-0
2-methyl-2-(3-(prop-1-en-2-yl)phenyl)cyclopropane-1,1-dicarbonitrile

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; potassium carbonate In 1,2-dichloro-ethane at 50℃; for 1h;	81%

: 78-67-1
2,2'-azobis(isobutyronitrile)

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

: 2,2-dimethyl-4-(3-(prop-1-en-2-yl)phenyl)pent-4-enenitrile

Conditions

Conditions	Yield
With iodine In dimethyl sulfoxide at 80℃; for 6h; Sealed tube; Inert atmosphere;	81%

: 106-44-5
p-cresol

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

: 7784-21-6
aluminium hydride

: 1,3-Di[2-(2-hydroxy-5-methylphenyl)-2-propyl]-benzene

Conditions

Conditions	Yield
In n-heptane; acetone	80%

...Expand

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

: 121-69-7
N,N-dimethyl-aniline

: C20H25N

Conditions

Conditions	Yield
With C31H51N2ScSi2; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 120℃; for 43h; Inert atmosphere; regioselective reaction;	78%

: 67-56-1
methanol

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

A: 1219696-78-2
1-(3-(1,1-dimethoxyethyl)phenyl)ethanone

B: 6781-42-6
1,3-diacetylbenzene

C: 87771-42-4
1-(3-(prop-1-en-2-yl)phenyl)ethanone

Conditions

Conditions	Yield
With ozone at 20℃; for 3.26667h;	A 5% B 75% C 2%

...Expand

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

: 121-69-7
N,N-dimethyl-aniline

: C28H36N2

Conditions

Conditions	Yield
With C31H51N2ScSi2; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 120℃; for 38h; Inert atmosphere; regioselective reaction;	73%

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

: 443988-53-2
benzyl 2-trimethylsilyl-2-oxoacetate

: dibenzyl 4,4′-(1,3-phenylene)bis(2-hydroxy-2-(trimethylsilyl)-pent-4-enoate)

Conditions

Conditions	Yield
With zinc(II) chloride In dichloromethane; water at 20℃; for 2h; Schlenk technique;	72%

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

: 457928-66-4
2-(3-isopropenylphenyl)propan-1-ol

Conditions

Conditions	Yield
Stage #1: 1,3-bis(1-methylethenyl)-benzene With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran	55%

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

: 1150-26-1
N-(4-Methoxy-phenyl)-4-methyl-benzenesulfonamide

: C26H27NO3S

Conditions

Conditions	Yield
With [n-Bu4N][BF4]; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane; acetonitrile at 20℃; for 2h; Electrolysis; Inert atmosphere; Electrochemical reaction; regioselective reaction;	53%

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

: 40451-67-0
2-oxopyrrolidine-1-carboxamide

: 133861-85-5
BTMI

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetonitrile at 65℃; for 6h; Product distribution / selectivity;	51%

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

: 536-74-3
phenylacetylene

: 1235454-13-3
1,3-bis(1-methyl-3-phenylcyclobut-2-en-1-yl)benzene

Conditions

Conditions	Yield
With (acetonitrile)[2-di-tert-butyl(2′,4′,4′,6'-triisopropylbiphenyl)phosphine]gold(I) hexafluoroantimonate In dichloromethane at 20℃; for 20h; Inert atmosphere; regioselective reaction;	48%

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

A: 1-(3-chloroprop-1-en-2-yl)-3-(prop-1-en-2-yl)benzene

B: 1,3-bis(3-chloroprop-1-en-2-yl)benzene

Conditions

Conditions	Yield
With N-chloro-succinimide; chloro-trimethyl-silane; ytterbium(III) triflate In tetrahydrofuran; dichloromethane at 20℃; for 3h; Inert atmosphere;	A 47% B 20%

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

: 69327-00-0
α-methoxycarbonylmaleic anhydride

: 134782-08-4
1,5-Dicarbomethoxy-1,1a,2,3,5a,5,6,7-octahydro-4,8-dimethylphenanthrene-1,2,5,6-tetracarboxylic Acid Dianhydride

Conditions

Conditions	Yield
In acetonitrile at 28℃; other condition: ether as solvent; Further byproducts given;	45%

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

: 87771-42-4
1-(3-(prop-1-en-2-yl)phenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 1,3-bis(1-methylethenyl)-benzene With ozone In methanol; dichloromethane at -78℃; Stage #2: With triphenylphosphine	45%
With dihydrogen peroxide; [Co4(SO4)3(F)3(2,4,6-tris-(4-pyridyl)-1,3,5-triazine)2(tatb)] In ethanethiol at 60℃;	95 %Spectr.

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

: 1,3-di(isothiazol-4-yl)benzene

Conditions

Conditions	Yield
With ammonium iodide; potassium ethyl xanthogenate In water; dimethyl sulfoxide at 130℃; for 24h; Schlenk technique;	41%

: 108-31-6
maleic anhydride

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

: 13592-50-2
1,1a,2,3,5a,5,6,7-Octahydro-4,8-dimethylphenanthrene-1,2,5,6-tetracarboxylic Acid Dianhydride

Conditions

Conditions	Yield
In acetonitrile for 18h; Heating;	40%

: 15243-33-1
dodecacarbonyl-triangulo-triruthenium

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

A: 169829-99-6
Ru3(CO)7(μ3-η(2):η(2):η(2)-C6H4-(η(2)-CCH3CH2)2-1,3)

B: Ru4(CO)9(μ3-η(2):η(2):η(2)-C6H4-(η(2)-CCH3CH2)2-1,3)

Conditions

Conditions	Yield
In octane refluxing (1.5 h); filtering, evapn. (reduced pressure), chromy. (CH2Cl2 / hexane = 1 : 4),extg. (CH2Cl2);	A 32% B 27%

...Expand

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

: 3682-36-8
dithiobenzoic acid sodium salt

: 257955-88-7
C26H26S4

Conditions

Conditions	Yield
With hydrogenchloride In n-heptane; water for 16h;	27%

: 15243-33-1
dodecacarbonyl-triangulo-triruthenium

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

: 169830-00-6, 164663-47-2
Ru4(CO)9C6H4[C(CH3)CH2]2

Conditions

Conditions	Yield
In octane thermolysis for 1.5 h; evapn., TLC;	27%

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

poly(1,3-diisopropenylbenzene peroxide); Monomer(s): 1,3-diisopropenylbenzene: poly(1,3-diisopropenylbenzene peroxide); Monomer(s): 1,3-diisopropenylbenzene

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); oxygen In benzene at 55℃; under 5171.48 Torr; for 24h;	26%

1,3-Diisopropenylbenzene Chemical Properties

IUPAC Name: 1,3-Bis(prop-1-en-2-yl)benzene
The MF of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is C₁₂H₁₄.

The MW of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is 158.24.
Synonyms of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8): 1,3-Bis(1-methylethenyl)benzene ; Benzene, 1,3-bis(1-methylethenyl)- ; Benzene, m-diisopropenyl-
Product Categories: Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research
Index of Refraction: 1.515
EINECS: 223-146-9
Density: 0.873 g/ml
Flash Point: 91.1 °C
Boiling Point: 231 °C

1,3-Diisopropenylbenzene Uses

1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.

1,3-Diisopropenylbenzene Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.

1,3-Diisopropenylbenzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Diisopropenylbenzene Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.Safety information of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8):
Hazard Codes Irritant Xi, Dangerous N
Risk Statements
36/37/38 Irritating to eyes, respiratory system and skin
50/53 Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
61 Avoid release to the environment. Refer to special instructions safety data sheet
60 This material and/or its container must be disposed of as hazardous waste
RIDADR UN 3082 9/PG 3
WGK Germany 2
RTECS CY8535000

Product Name

1,3-Diisopropenylbenzene

Synthetic route

1,3-Diisopropenylbenzene Chemical Properties

1,3-Diisopropenylbenzene Uses

1,3-Diisopropenylbenzene Toxicity Data With Reference

1,3-Diisopropenylbenzene Consensus Reports

1,3-Diisopropenylbenzene Safety Profile

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