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108-38-3

Basic Information
CAS No.: 108-38-3
Name: 1,3-Dimethylbenzene
Molecular Structure:
Molecular Structure of 108-38-3 (1,3-Dimethylbenzene)
Formula: C8H10
Molecular Weight: 106.17
Synonyms: m-Xylene(8CI);1,3-Xylene;3-Methyltoluene;NSC 61769;m-Dimethylbenzene;m-Methyltoluene;m-xylol;M-Xylene;1,3-Dimethylbenzene;
EINECS: 203-576-3
Density: 0.87 g/cm3
Melting Point: -48 °C
Boiling Point: 140.567 °C at 760 mmHg
Flash Point: 25 °C
Solubility: Insoluble in water, soluble in alcohol and ether
Appearance: Colorless transparent liquid
Hazard Symbols: HarmfulXn,ToxicT,FlammableF
Risk Codes: 10-20/21-38-39/23/24/25-23/24/25-11-36/38
Safety: 25-45-36/37-16-7
Transport Information: UN 1307 3/PG 3
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

108-38-3

m-xylene

Conditions
ConditionsYield
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
ConditionsYield
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;
4214-28-2

1-iodo-2,4-dimethylbenzene

108-38-3

m-xylene

Conditions
ConditionsYield
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
ConditionsYield
In tetrahydrofuran; Dimethyl ether at -135℃;A 84%
B 13%
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
ConditionsYield
With triethylamine; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 6h;A n/a
B 82%
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
ConditionsYield
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
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
ConditionsYield
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.
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
ConditionsYield
In tetrahydrofuran; diethyl ether; pentane at -135 - 25℃;A 9%
B 73%
In tetrahydrofuran; Dimethyl ether at -135℃;A 9%
B 48%
137203-34-0

bis(trimethylaluminum)–1,4-diazabicyclo[2.2.2]octane adduct

625-95-6

3-Iodotoluene

108-38-3

m-xylene

Conditions
ConditionsYield
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
ConditionsYield
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%
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
ConditionsYield
With hydrogen; potassium carbonate In 1,4-dioxane at 120 - 140℃; under 30003 Torr; for 20h; Autoclave;A 71%
B 6%
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
ConditionsYield
In tetrahydrofuran; Dimethyl ether at -135℃;A 66%
B 20%
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
ConditionsYield
With bis(tri-t-butylphosphine)palladium(0); diisopropylamine In benzene at 20℃; for 24h; Glovebox; Sealed tube;A 66%
B n/a
28042-78-6

2,4-dimethylbenzaldazine

A

78032-06-1

5,7-dimethylphthalazine

B

108-38-3

m-xylene

Conditions
ConditionsYield
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
ConditionsYield
In tetrahydrofuran at -78℃; for 4h; Yields of byproduct given;A 61%
B n/a
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
ConditionsYield
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%
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
ConditionsYield
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%
87241-52-9

2,4-dimethylphenyl trifluoromethanesulfonate

A

108-38-3

m-xylene

B

105-67-9

2,4-Xylenol

Conditions
ConditionsYield
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
ConditionsYield
With cesium fluoride; 2-mercaptopyridine sodium salt In acetonitrile at 30 - 35℃; for 36h; Irradiation; Inert atmosphere;A 57%
B 13 %Chromat.
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
ConditionsYield
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%
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With potassium phosphate; bis(tri-t-butylphosphine)palladium(0) In 1-methyl-pyrrolidin-2-one at 20℃; for 60h;A 51%
B 36 % Chromat.
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
ConditionsYield
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
108-24-7

acetic anhydride

108-38-3

m-xylene

89-74-7

2,4-dimethylacetophenone.

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
Conditions
ConditionsYield
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+)*0.7C4H8O*0.7H(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
ConditionsYield
With air In dichloromethane at 20℃; for 6h; regioselective reaction;100%
108-38-3

m-xylene

626-16-4

3-(chloromethyl)benzyl chloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

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

108-38-3

m-xylene

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

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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-)*C8H12*Ir(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+)*C8H12*CH3O(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
ConditionsYield
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
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
ConditionsYield
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
ConditionsYield
With trifluorormethanesulfonic acid at 0℃; for 1h; Friedel Crafts acylation; Neat (no solvent);98%
108-38-3

m-xylene

C18H17ClO

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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  • Casno:

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    FOB Price:  USD $ 0.0-0.0/

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  • Casno:

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Chemistry

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Consensus Reports

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

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

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.