1,3-Dimethylbenzene supplier

Name
1,3-Dimethylbenzene
EINECS 203-576-3
CAS No. 108-38-3
Article Data486
CAS DataBase
Density 0.87 g/cm³
Solubility Insoluble in water, soluble in alcohol and ether
Melting Point -48 °C
Formula C₈H₁₀
Boiling Point 140.567 °C at 760 mmHg
Molecular Weight 106.167
Flash Point 25 °C
Transport Information UN 1307 3/PG 3
Appearance Colorless transparent liquid
Safety 25-45-36/37-16-7
Risk Codes 10-20/21-38-39/23/24/25-23/24/25-11-36/38
Molecular Structure
Hazard Symbols Xn,T,F
Synonyms m-Xylene(8CI);1,3-Xylene;3-Methyltoluene;NSC 61769;m-Dimethylbenzene;m-Methyltoluene;m-xylol;M-Xylene;1,3-Dimethylbenzene;
PSA 0.00000
LogP 2.30340

Synthetic route

: 132636-71-6
3-(3,5-Dimethyl-phenoxy)-benzo[d]isothiazole 1,1-dioxide

A: 108-38-3
m-xylene

B: 81-07-2
saccharin

Conditions

Conditions	Yield
With sodium hypophosphite; palladium on activated charcoal In water; benzene for 2.5h; Heating;	A 100% B n/a

: 620-19-9
1-chloromethyl-3-methyl-benzene

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With palladium dichloride In methanol at 40℃; for 1h; Green chemistry; chemoselective reaction;	99%
With Perbenzoic acid; tri-n-butyl-tin hydride In benzene at 90℃; for 12h; Mechanism; in the presence of α-chlorotoluene (competitor), relative reactivity;

: 587-03-1
3-methylbenzyl alcohol

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With palladium dichloride In methanol at 40℃; for 18h; Inert atmosphere; Green chemistry; chemoselective reaction;	99%
With 2,4,6-trimethyl-pyridine; 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation;	68 %Chromat.

: 3101-50-6
1-methyl-3-methylene-cyclohexane

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With n-butyllithium; potassium 2-methylbutan-2-olate Mechanism; 1) r.t., 16 h, 2) reflux, 6 h; further reagent: D2O;	96%

: 100379-00-8
2,6-dimethylbenzene boronic acid

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With water at 20℃; for 48h;	96%
With potassium methanolate In methanol at 120℃; for 12h; Catalytic behavior; Solvent; Sealed tube; Green chemistry;	67 %Chromat.

: 499-06-9
3,5-dimethylbenzoic acid

: 1552-94-9, 28010-12-0, 28010-13-1, 38446-98-9, 54352-97-5
5-phenyl-2,4-pentadienoic acid

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With silver(I) acetate; potassium carbonate In N,N-dimethyl acetamide at 140℃;	94%

: 111-26-2
hexan-1-amine

: 556-96-7
5-bromo-1,3-xylene

A: 108-38-3
m-xylene

B: N-n-hexyl-3,5-dimethylbenzenamine

C: Bis-(3,5-dimethyl-phenyl)-hexyl-amine

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); sodium t-butanolate In toluene at 80℃; for 2h; Arylation;	A n/a B 88% C n/a
With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate In toluene at 80℃; for 3h; Arylation;

...Expand

: 4214-28-2
1-iodo-2,4-dimethylbenzene

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With formaldehyd; palladium diacetate; caesium carbonate In dimethyl sulfoxide at 80℃; for 12h;	85%

: 7452-79-1
ethyl 2-methylbutyrate

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

A: 91873-92-6
1-(2,6-Dimethyl-phenyl)-3-methyl-pentane-1,2-dione

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran; Dimethyl ether at -135℃;	A 84% B 13%

...Expand

: 576-22-7
2-Bromo-m-xylene

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

A: 108-38-3
m-xylene

B: 2-(2,6-bismethylphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

Conditions

Conditions	Yield
With triethylamine; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 6h;	A n/a B 82%

...Expand

: 100379-00-8
2,6-dimethylbenzene boronic acid

: 105-36-2
ethyl bromoacetate

A: 105337-15-3
ethyl 2-(2,6-dimethylphenyl)acetate

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With potassium fluoride; benzyltriethylammonium bromide; tris-(o-tolyl)phosphine; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran for 24h; Product distribution / selectivity; Reflux;	A 81.9% B n/a

...Expand

: 22445-41-6
3,5-dimethylphenyl iodide

: 123-30-8
4-amino-phenol

A: 86823-17-8
4-(3,5-dimethylphenoxy)aniline

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; (1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane In propyl cyanide at 70℃; for 24h; Inert atmosphere;	A 76% B 14 %Chromat.

...Expand

: 79-20-9
acetic acid methyl ester

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

A: 150457-77-5
1-(2,6-Dimethyl-phenyl)-propane-1,2-dione

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; pentane at -135 - 25℃;	A 9% B 73%
In tetrahydrofuran; Dimethyl ether at -135℃;	A 9% B 48%

...Expand

: 137203-34-0
bis(trimethylaluminum)–1,4-diazabicyclo[2.2.2]octane adduct

: 625-95-6
3-Iodotoluene

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With dichloro bis(acetonitrile) palladium(II); dicyclohexyl(2',6'-diisopropyl-4'-sulfobiphenyl-2-yl)phosphonium hydrogen sulfate In tetrahydrofuran at 65℃; for 4h; Inert atmosphere; Ionic liquid; chemoselective reaction;	73%

: 110-54-3
hexane

A: 95-47-6
o-xylene

B: 106-42-3
para-xylene

C: 100-41-4
ethylbenzene

D: 108-38-3
m-xylene

E: 108-88-3
toluene

F: 71-43-2
benzene

Conditions

Conditions	Yield
540 degC; treated 16 h; U type zeolite at 450℃; Product distribution;	A n/a B n/a C n/a D n/a E 10.8% F 72.2%
540 degC; treated 16 h; UHS type zeolite at 450℃; Product distribution;	A n/a B n/a C n/a D n/a E 33.3% F 50%

...Expand

: 201230-82-2
carbon monoxide

: 22445-41-6
3,5-dimethylphenyl iodide

A: 5779-95-3
3,5-dimethylbenzaldehyde

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With hydrogen; potassium carbonate In 1,4-dioxane at 120 - 140℃; under 30003 Torr; for 20h; Autoclave;	A 71% B 6%

...Expand

: 623-42-7
butanoic acid methyl ester

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

A: 91887-15-9
1-(2,6-Dimethyl-phenyl)-pentane-1,2-dione

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran; Dimethyl ether at -135℃;	A 66% B 20%

...Expand

: 22445-41-6
3,5-dimethylphenyl iodide

: di(cyclohexa-2,5-dien-1-yl)silane

A: di(cyclohexa-2,5-dien-1-yl)(3,5-dimethylphenyl)silane

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With bis(tri-t-butylphosphine)palladium(0); diisopropylamine In benzene at 20℃; for 24h; Glovebox; Sealed tube;	A 66% B n/a

...Expand

: 28042-78-6
2,4-dimethylbenzaldazine

A: 78032-06-1
5,7-dimethylphthalazine

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With aluminium trichloride; aluminum tri-bromide at 185 - 195℃; for 0.5h;	A 65% B n/a

: pyrilium tetrafluoroborate

: 591-51-5
phenyllithium

A: 121077-51-8
(2Z,4E)-5-phenylpenta-2,4-dienal

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran at -78℃; for 4h; Yields of byproduct given;	A 61% B n/a

...Expand

: 556-97-8
1-chloro-3,5-dimethylbenzene

: 73183-34-3
bis(pinacol)diborane

A: 2,2'-(3,5-dimethyl-1,2-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

B: 108-38-3
m-xylene

C: 325142-93-6
2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With bis(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)nickel(0); potassium methanolate In hexane at 25℃; for 6h; Inert atmosphere; Irradiation;	A 3% B 19 %Chromat. C 61%

...Expand

: 142-82-5
n-heptane

A: 95-47-6
o-xylene

B: 106-42-3
para-xylene

C: 100-41-4
ethylbenzene

D: 108-38-3
m-xylene

E: 108-88-3
toluene

F: 71-43-2
benzene

Conditions

Conditions	Yield
540 degC; treated 16 h; U type zeolite at 450℃; Product distribution;	A n/a B n/a C n/a D n/a E 58.5% F 6%
540 degC; treated 16 h; UHS type zeolite at 450℃; Product distribution;	A n/a B n/a C n/a D n/a E 42.8% F 8.8%

...Expand

: 87241-52-9
2,4-dimethylphenyl trifluoromethanesulfonate

A: 108-38-3
m-xylene

B: 105-67-9
2,4-Xylenol

Conditions

Conditions	Yield
With lithium; nickel dichloride In tetrahydrofuran at 20℃; Reduction;	A 58% B 15%

: tert-butyl (2,4-dimethylphenyl)carbonate

: 73183-34-3
bis(pinacol)diborane

A: 2-(2,4-bismethylphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With cesium fluoride; 2-mercaptopyridine sodium salt In acetonitrile at 30 - 35℃; for 36h; Irradiation; Inert atmosphere;	A 57% B 13 %Chromat.

...Expand

: 5441-52-1
3,5-dimethylcyclohexan-1-ol

A: 2320-30-1
3,5-dimethylcyclohexanone

B: 108-38-3
m-xylene

C: 108-68-9
3,5-Dimethylphenol

Conditions

Conditions	Yield
aluminum oxide; nickel at 350℃; Product distribution; effect of temperature on conversion; various temperatures, catalysts various origin and amount;	A 34.5% B 56% C 0.7%

...Expand

: 31689-43-7
1-methyl-3-methylcyclohexa-2,5-dienecarboxylic acid

A: 108-38-3
m-xylene

: (1S,5S)-1,5-Dimethyl-6-oxa-bicyclo[3.2.1]oct-2-en-7-one

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h;	A 32% B 53%

: 31689-43-7
1-methyl-3-methylcyclohexa-2,5-dienecarboxylic acid

A: 643749-27-3
C9H12O2

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h;	A 53% B 32%

: 95-66-9
2,4-dimethylchlorobenzene

A: 3976-36-1
2,2',4,4'-tetramethylbiphenyl

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With PEG-400; sodium hydroxide; zinc; palladium on activated charcoal In water at 100℃; for 2h; coupling; reduction;	A 51% B 38 % Chromat.

: 617-86-7
triethylsilane

: 22445-41-6
3,5-dimethylphenyl iodide

A: (3,5-dimethylphenyl)triethylsilane

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
With potassium phosphate; bis(tri-t-butylphosphine)palladium(0) In 1-methyl-pyrrolidin-2-one at 20℃; for 60h;	A 51% B 36 % Chromat.

...Expand

: 156-60-5
trans-1,2-dichloroethylene

: 172975-69-8
3,5-dimethylphenyl boronic acid

A: 1-[(E)-2-chlorovinyl]-3,5-dimethylbenzene

B: 13863-27-9
(E)-1,2-bis(3,5-dimethylphenyl)ethene

C: 108-38-3
m-xylene

Conditions

Conditions	Yield
With cesium fluoride; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis(di-tert-butylphosphino)biphenyl In 1,4-dioxane at 70℃; Suzuki coupling;	A 50% B n/a C n/a

...Expand

: 108-24-7
acetic anhydride

: 108-38-3
m-xylene

: 89-74-7
2,4-dimethylacetophenone.

Conditions

Conditions	Yield
With gallium tri(nonafluorobutane sulfonate); lithium perchlorate In nitromethane at 20℃; for 6h; Acetylation; Friedel-Crafts reaction;	100%
With lithium perchlorate; hafnium tetrakis(trifluoromethanesulfonate) In nitromethane for 6h; Product distribution; Ambient temperature; effect of var. Lewis acid catalysts, LiClO4 and different solvents;	91%
With hafnium(IV) trifluoromethanesulfonate; lithium perchlorate In nitromethane for 6h; Product distribution; Ambient temperature; other aromatic compounds, acylation and alkylation agents, Lewis acids, var. concetration of LiClO4;	91%

: 98-88-4
benzoyl chloride

: 108-38-3
m-xylene

: 1140-14-3
2,4-Dimethyl benzophenone

Conditions

Conditions	Yield
With gallium(III) triflate; 1-dodecyloxy-4-(heptadecafluorooctyl)benzene In carbon dioxide at 100℃; under 60004.8 Torr; for 6h;	100%
Hf[N(SO2C8F17)2]4 In various solvent(s) at 120℃; for 3h;	96%
With VNU-1 In nitrobenzene at 120℃; for 0.0833333h; Friedel-Crafts Acylation; Microwave irradiation;	92%

: 64-19-7
acetic acid

: 108-38-3
m-xylene

: 89-74-7
2,4-dimethylacetophenone.

Conditions

Conditions	Yield
With trifluoroacetic anhydride; bismuth(lll) trifluoromethanesulfonate at 30℃; for 6h; Product distribution; Further Variations:; Catalysts; Reagents; Temperatures; reaction times; Friedel-Crafts acetylation;	100%
With trifluoromethylsulfonic anhydride at 20℃; for 0.0833333h; Friedel-Crafts acylation;	97%
Stage #1: acetic acid; m-xylene With trifluoroacetic anhydride In dichloromethane at 20℃; for 0.25h; Stage #2: With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 1h;	88%

: 108-38-3
m-xylene

: 638-04-0, 2207-03-6, 69685-67-2, 69685-68-3, 129939-72-6, 129939-73-7, 591-21-9
1,3-dimethylcyclohexane

Conditions

Conditions	Yield
With hydrogen; [(norbornadiene)rhodium(I)chloride]2; phosphinated polydiacetylene In n-heptane at 30℃; under 60800 Torr; for 1.5h;	100%
With 5% Ru/MgO; hydrogen In tetrahydrofuran at 120℃; under 7600.51 Torr; for 2.9h;	100%
With Ti8O8(14+)6C8H4O4(2-)4O(2-)3.3Li(1+)0.7Co(2+)0.7C4H8O0.7H(1-); hydrogen In neat (no solvent) at 120℃; under 37503.8 Torr; for 18h;	100%

: 5565-36-6
1,4-bis-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene

: 108-38-3
m-xylene

: 2712-78-9
bis-[(trifluoroacetoxy)iodo]benzene

: 1417418-28-0
C14H14I(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
With air In dichloromethane at 20℃; for 6h; regioselective reaction;	100%

...Expand

: 108-38-3
m-xylene

: 626-16-4
3-(chloromethyl)benzyl chloride

Conditions

Conditions	Yield
With chlorine; 1-butyl-3-methylimidazolium chloride at 58℃; for 3h; Reagent/catalyst; Temperature; Irradiation; Ionic liquid;	99.18%
With chlorine Sonnenlicht;
With phosphorus pentachloride at 190℃;

: 91-01-0
1,1-Diphenylmethanol

: 108-38-3
m-xylene

: 6944-21-4
((2,4-dimethylphenyl)methylene)dibenzene

Conditions

Conditions	Yield
With silica gel supported sodium hydrogen sulfate at 60℃; for 0.5h; Friedel-Crafts type alkylation;	99%
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;	92%
With phosphorus pentoxide

: 18734-63-9
perfluoro-o-phenylenemercury trimer

: 108-38-3
m-xylene

: 649559-07-9
perfluoro-ortho-phenylene mercury trimer - meta-xylene (1:1)

Conditions

Conditions	Yield
In further solvent(s) Hg-compound was dissolved by boiling in m-xylene, cooled; slow evapd. in a well-aerated fume hood; elem. anal.;	99%

: 60430-43-5
norborna-2,5-diene(1,2-bis(diphenylphosphino)ethane)rhodium(I) tetrafluoroborate

: 108-38-3
m-xylene

: 188659-74-7
(C6H5)2PCH2CH2P(C6H5)2RhC6H4(CH3)2(1+)*BF4(1-)=[(C6H5)2PCH2CH2P(C6H5)2RhC6H4(CH3)2]BF4

Conditions

Conditions	Yield
With H2 In methanol (N2); solution of Rh complex was bubbled with H2 (5 min), concn. of the solution, addn. of 1,3-dimethylbenzene, stirring (12 h, room temp.); removal of the solvent;	99%

: 531490-86-5
[Ir(2,6-bis(di-tert-butylphosphinomethylene)pyridine)(cyclooctene)][PF6]

: 108-38-3
m-xylene

: 898225-76-8
[Ir(2,6-bis(di-tert-butylphosphinomethylene)pyridine)(H)(m-xylyl)][PF6]

Conditions

Conditions	Yield
In m-xylene under N2 atm. soln. Ir complex in m-xylene was heated at 60°C for1 h; solvent was evapd., residue was washed with pentane and ether and dried in vacuo overnight; elem. anal.;	99%

: 108-38-3
m-xylene

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

: 325142-93-6
2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With RhH{κ3-P,O,P-[9,9-dimethyl-4,5-bis-(diisopropylphosphino)xanthene2]}; cyclohexene at 110℃; for 48h; Inert atmosphere; Glovebox;	99%
With IrH2(Bpin){κ3-P,O,P-[9,9-dimethyl-4,5-bis(diisopropylphosphino)xanthene]}; cyclohexene at 110℃; for 18h; Inert atmosphere; Glovebox;	95%
With (N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)CuFp at 25℃; for 48h; Inert atmosphere; Glovebox; UV-irradiation; Sealed tube;	80%

: 14104-20-2
silver tetrafluoroborate

: 12354-84-6, 12354-85-7
bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]

: 108-38-3
m-xylene

: [pentamethylcyclopentadienyl*iridium(η6-m-xylene)][BF4]2

Conditions

Conditions	Yield
Stage #1: silver tetrafluoroborate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In acetone at 24℃; for 0.25h; Stage #2: m-xylene With trifluoroacetic acid at 24℃;	99%

...Expand

: P,P-diphenyl-N-(8-aminoquinoline)phosphonamide

: 108-38-3
m-xylene

: P-[2-(3-methylbenzyl)phenyl]-P-phenyl-N-(8-aminoquinoline)phosphonamide

Conditions

Conditions	Yield
With dihydrogen peroxide at 100℃; for 24h; Schlenk technique; Inert atmosphere; Green chemistry;	99%

: 108-38-3
m-xylene

: 654-42-2
1,4-dihydroxy-2,6-dimethylbenzene

Conditions

Conditions	Yield
With 2-Ethylhexanoic acid; [Fe(CF3SO3)2((S,S)-N,N’-bis(2-pyridylmethyl)-2,2’-bipyrrolidine)]; dihydrogen peroxide In acetonitrile at 0℃; for 2.5h;	99%

: 108-38-3
m-xylene

A: 56-23-5
tetrachloromethane

B: 118-74-1
hexachlorobenzene

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); chlorine; aluminum oxide; molybdenum(VI) oxide at 380 - 400℃; for 0.00277778h;	A 95.15% B 98.06%

: 108-38-3
m-xylene

: 98-59-9
p-toluenesulfonyl chloride

: 13249-97-3
2,4-dimethyl-1-[(4-methylphenyl)sulfonyl]benzene

Conditions

Conditions	Yield
With tin(II) trifluoromethanesulfonate at 120℃; for 8h; Friedel-Crafts sulfonylation;	98%
With [BTBA]Cl-FeCl3 at 60℃; for 0.0166667h; Friedel-Crafts sulfonylation;	97%
With peroxodisulfate ion; zirconium(IV) oxide at 150℃; for 0.5h; Friedel-Crafts reaction;	89%

: 108-38-3
m-xylene

: 583-70-0
1-bromo-2,4-dimethylbenzene

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide; sodium bromide In water at 49.84℃;	98%
With N-Bromosuccinimide In acetonitrile at 0 - 20℃; Inert atmosphere;	98%
With N-Bromosuccinimide In 1,2-dichloro-ethane at 60℃; for 10h; Sealed tube;	97%

: 108-38-3
m-xylene

: 65-85-0
benzoic acid

: 1140-14-3
2,4-Dimethyl benzophenone

Conditions

Conditions	Yield
With trifluoroacetic anhydride; bismuth(lll) trifluoromethanesulfonate at 30℃; for 12h; Friedel-Crafts acetylation;	98%
With pyridin-2-yl trifluoromethanesulfonate; trifluoroacetic acid for 5h; Heating;	95%
With trifluoromethylsulfonic anhydride In nitromethane at 20℃; for 0.0833333h; Friedel-Crafts acylation;	90%

: 108-38-3
m-xylene

: 13369-81-8
2-iodo-4-nitro-1(3)H-imidazole

: 4(5)-Nitro-2-(2,4-dimethylphenyl)imidazole

Conditions

Conditions	Yield
In acetonitrile for 4h; Irradiation;	98%

: 108-38-3
m-xylene

: 73183-34-3
bis(pinacol)diborane

: 325142-93-6
2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
Stage #1: bis(pinacol)diborane With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tert-butyl methyl ether Inert atmosphere; Stage #2: m-xylene In tert-butyl methyl ether at 80℃; for 6h; Inert atmosphere;	98%
With 6Zr(4+)4O(2-)4HO(1-)4C18H12O4(2-)2C16H10N2O4(2-)C8H12Ir(1+)*CH3O(1-) In tetrahydrofuran; n-heptane at 115℃; for 16h; Catalytic behavior; Reagent/catalyst; Temperature; Glovebox; Schlenk technique; Inert atmosphere;	97%
With Ir(1+)C8H12CH3O(1-)6C12H6N2O4(2-)4Zr(4+)4HO(1-)4O(2-) In neat (no solvent) at 100℃; for 7h; Time; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube;	94%

: 108-38-3
m-xylene

A: 626-17-5
benzene-1,3-dicarbonitrile

B: 3441-01-8
3-cyanobenzamide

C: 620-22-4
3-Methylbenzonitrile

Conditions

Conditions	Yield
With ammonia; oxygen; B0.5CrK0.02Mo0086Na0009P0.007V at 350 - 420℃; under 1500.15 Torr; Gas phase; Heating / reflux;	A 98% B n/a C n/a

...Expand

: 64881-40-9
(3S)-3-methoxycarbonyl-3-trifluoroacetylaminopropanoyl chloride

: 108-38-3
m-xylene

: 1088806-53-4
methyl 4-(2,4-dimethylphenyl)-4-oxo-2-(2,2,2-trifluoroacetamido)butanoate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 0℃; for 1h; Friedel Crafts acylation; Neat (no solvent);	98%

: 108-38-3
m-xylene

: 161553-08-8
(R)-N-trifluoroacetylaspartic acid-4-chloride-1-methyl ester

: 1088806-55-6
methyl 4-(2,4-dimethylphenyl)-4-oxo-2-(2,2,2-trifluoroacetamido)butanoate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 0℃; for 1h; Friedel Crafts acylation; Neat (no solvent);	98%

: 91574-67-3, 91574-68-4, 20766-37-4
2-chlorobenzalacetone

: 108-38-3
m-xylene

: C18H17ClO

Conditions

Conditions	Yield
With di-tert-butyl peroxide; [copper(II)(trifluoroacetylacetonate)2]; salicylic acid at 120℃; for 24h; Inert atmosphere; regioselective reaction;	98%

: 108-38-3
m-xylene

: 264882-00-0
methyl 2-(2-chlorophenyl)-2-diazoacetate

: methyl 2-(2-chlorophenyl)-2-(2,4-dimethylphenyl)acetate

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate at 20℃; for 0.0666667h; Schlenk technique;	98%
With MCM-41-PPh2-AuOTf at 20℃; for 0.1h; Schlenk technique; Inert atmosphere; regioselective reaction;	87%

: 507-20-0
tertiary butyl chloride

: 108-38-3
m-xylene

: 98-19-1
5-tert-Butyl-m-xylene

Conditions

Conditions	Yield
With 4-Chloropyridine; nickel(II) oxide; aluminum (III) chloride; barium titanate; 4-trifluoromethylpyridine; copper(II) sulfate In ethanol at 25℃; for 0.0666667h; Temperature;	97.7%
With aluminum (III) chloride In dichloromethane at 20℃; for 1.5h;	70%
montmorillonite doped with TiCl4 for 0.333333h; Heating;	60%

: 85-44-9
phthalic anhydride

: 108-38-3
m-xylene

: 2346-63-6
2-(2,4-dimethylbenzoyl)benzoic acid

Conditions

Conditions	Yield
Stage #1: phthalic anhydride; m-xylene With aluminum (III) chloride at 55℃; for 5h; cooling with salt-ice; Stage #2: With hydrogenchloride In water; m-xylene cooling with ice;	97%
With aluminum (III) chloride at 60℃; for 0.416667h; Catalytic behavior; Reagent/catalyst; Time; Concentration; Friedel-Crafts Acylation; Ionic liquid; Irradiation;	85%
With aluminium trichloride

1,3-Dimethylbenzene Chemical Properties

1,3-Dimethylbenzene Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory.

1,3-Dimethylbenzene Standards and Recommendations

OSHA PEL: TWA 100 ppm; STEL 150 ppm
ACGIH TLV: TWA 100 ppm; STEL 150 ppm; BEI: methyl hippuric acids in urine at end of shift 1.5 g/g creatinine; Not Classifiable as a Human Carcinogen
NIOSH REL: (Xylene) TWA 100 ppm; CL 200 ppm/10M
DOT Classification: 3; Label: Flammable Liquid

1,3-Dimethylbenzene Specification

The 1,3-Dimethylbenzene with CAS registry number of 108-38-3 is also known as 1,3-Dimethylbenzene. The IUPAC name is 1,3-Xylene. It belongs to product categories of Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC). Its EINECS registry number is 203-576-3. In addition, the formula is C₈H₁₀ and the molecular weight is 106.17. This chemical is a colorless transparent liquid and should be stored in cool, dry room away from fire and oxidizing agents.

Physical properties about 1,3-Dimethylbenzene are:
(1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.271; (3)ACD/LogD (pH 7.4): 3.271; (4)ACD/BCF (pH 5.5): 180.187; (5)ACD/BCF (pH 7.4): 180.187; (6)ACD/KOC (pH 5.5): 1433.027; (7)ACD/KOC (pH 7.4): 1433.027; (8)Index of Refraction: 1.5; (9)Molar Refractivity: 35.903 cm³; (10)Molar Volume: 121.984 cm³; (11)Polarizability: 14.233×10^-24cm³; (12)Surface Tension: 28.791 dyne/cm; (13)Density: 0.87 g/cm³; (14)Flash Point: 25 °C; (15)Enthalpy of Vaporization: 35.66 kJ/mol; (16)Boiling Point: 140.567 °C at 760 mmHg; (17)Vapour Pressure: 7.613 mmHg at 25 °C.

Preparation of 1,3-Dimethylbenzene :
It can be prepared by sulfonated hydrolysis. Firstly, mixed xylene is distillated. Then the fraction of 130-140 °C is collected and sulfonated with sulfuric acid at the temperature of 80-90 °C for 3.5 hours. At last, the product is obtained by collecting fraction of 140-150 °C after hydrolysis and distillation.

Uses of 1,3-Dimethylbenzene :
It can be used for the production of isophthalic acid, methyl benzoate, isophthaloyl nitrile, and also can be used as raw material of pharmaceutical, dye, spice and color film purity. It is used to produce 2,4,4'-trimethyl-benzophenone by reaction with 4-methyl-benzoyl chloride. The reaction needs reagent AlCl₃ and solvent CH₂Cl₂. The yield is about 66%.
1,3-Dimethylbenzene is used to produce 2,4,4'-trimethyl-benzophenone by reaction with 4-methyl-benzoyl chloride.

Safety Information of 1,3-Dimethylbenzene:
When you are using 1,3-Dimethylbenzene, please be cautious about it. As a chemical, it is irritating to eyes and skin. It has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Besides, it is highly flammable. During using it, wear suitable protective clothing and gloves. Keep container tightly closed and away from sources of ignition. Avoid contact with eyes. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=CC=C1)C
2. InChI: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
3. InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N

The toxicity data of 1,3-Dimethylbenzene is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LDLo	intraperitoneal	2gm/kg (2000mg/kg)		Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
mammal (species unspecified)	LDLo	subcutaneous	5gm/kg (5000mg/kg)		Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
man	TCLo	inhalation	424mg/m³/6H/6 (424mg/m³)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Toxicology Letters. Vol. 1000(Sp,
man	TCLo	inhalation	870mg/m³/4H-I (870mg/m³)	BEHAVIORAL: ATAXIA BEHAVIORAL: IRRITABILITY	Archives of Toxicology, Supplement. Vol. 7, Pg. 412, 1984.
mouse	LCLo	inhalation	2010ppm/24H (2010ppm)		Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
mouse	LD50	intraperitoneal	2003uL/kg (2.003mL/kg)		Archives of Toxicology. Vol. 58, Pg. 106, 1985.
rabbit	LD50	skin	14100uL/kg (14.1mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LCLo	inhalation	8000ppm/4H (8000ppm)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	5gm/kg (5000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.

Product Name

1,3-Dimethylbenzene

Synthetic route

1,3-Dimethylbenzene Chemical Properties

1,3-Dimethylbenzene Consensus Reports

1,3-Dimethylbenzene Standards and Recommendations

1,3-Dimethylbenzene Specification

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