1,4-Diethylbenzene supplier

Name
1,4-Diethylbenzene
EINECS 203-265-2
CAS No. 105-05-5
Article Data96
CAS DataBase
Density 0.865 g/cm³
Solubility It is insoluble in water. But soluble in ethanol, benzene,carbon tetrachloride.
Melting Point -43 °C
Formula C₁₀H₁₄
Boiling Point 183.1 °C at 760 mmHg
Molecular Weight 134.221
Flash Point 56.7 °C
Transport Information UN 2049 3/PG 3
Appearance clear colorless liquid
Safety 26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,p-diethyl- (8CI);p-Xylene, a,a'-dimethyl- (7CI);p-Diethylbenzene;p-Ethylethylbenzene;
PSA 0.00000
LogP 2.81140

Synthetic route

: 1009-61-6
1,4-Diacetylbenzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With triethylsilane; indium(III) bromide In chloroform at 60℃; for 1h; Inert atmosphere;	99%
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 24h;	72%
With hydrogen In 1,3,5-trimethyl-benzene at 175℃; under 37503.8 Torr; for 16h; Autoclave;

: 10504-06-0
2,5-diethyl-furan

: 74-85-1
ethene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With zeolite H-beta In tetrahydrofuran at 249.84℃; under 20686.5 Torr; for 18h; Reagent/catalyst;	99%

: 1,4-diethylcyclohexa-2,5-diene-1,4-dicarboxylic acid

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane at 0℃; regioselective reaction;	85%
With lead(IV) tetraacetate; lithium chloride In chloroform for 3h; Reflux;

: 937-30-4
4-ethylacetophenone

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 50℃; under 3102.97 Torr;	77%
With hydrogenchloride; amalgamated zinc
With nickel at 260 - 280℃; durch Hydrogenolyse;

: 67-56-1
methanol

: 36262-33-6
dispiro<2.2.2.2>deca-4,9-diene

A: 105-05-5
1,4-diethylbenzene

B: 105786-55-8
1-Ethyl-4-(2-methoxyethyl)benzol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	A n/a B 50%

...Expand

: 425-75-2
trifluoromethanesulfonic acid ethyl ester

: 71-43-2
benzene

A: 100-41-4
ethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

Conditions

Conditions	Yield
for 2h; Heating; Yields of byproduct given;	A 30% B n/a C n/a
for 2h; Heating; Yield given;	A 30% B n/a C n/a

...Expand

: 17429-36-6
4-methyl-4-phenylcyclohex-2-enone

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 611-14-3
2-Ethyltoluene

C: 141-93-5
m-diethylbenzene

D: 105-05-5
1,4-diethylbenzene

E: 253185-02-3
ortho-diethylbenzene

F: 933-98-2
3-ethyl-o-xylene

Conditions

Conditions	Yield
With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;	A 1.2% B 0.2% C 1.5% D 1.3% E 10% F 19%

...Expand

: 64-17-5
ethanol

: 71-43-2
benzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With mesoporous graphitic C3N4 at 150℃; for 24h; Friedel-Crafts reaction;	18%

: 937-30-4
4-ethylacetophenone

A: 3454-07-7
1-ethenyl-4-ethyl-benzene

B: 105-05-5
1,4-diethylbenzene

C: 2,3-di(4-ethylphenyl)butane

Conditions

Conditions	Yield
With [NiNPtBu3]4; phenylsilane In tetrahydrofuran at 60℃; for 16h; Sealed tube;	A 10% B 16% C n/a

...Expand

: 17429-36-6
4-methyl-4-phenylcyclohex-2-enone

A: 95-47-6
o-xylene

B: 620-14-4
1-Methyl-3-ethylbenzene

C: 611-14-3
2-Ethyltoluene

D: 100-41-4
ethylbenzene

E: 141-93-5
m-diethylbenzene

F: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;	A 0.5% B 1.2% C 0.2% D 12% E 1.5% F 1.3%

...Expand

: 64-17-5
ethanol

: 100-41-4
ethylbenzene

A: 141-93-5
m-diethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

Conditions

Conditions	Yield
HZSM-5 type zeolite modified with 10 wtpercent oxide of boron at 399.9℃; Yield given. Yields of byproduct given;
With MgMnAPO-5 at 250℃; Product distribution; Further Variations:; Temperatures; Reagents; atmospheric pressure;	A 0.22% B 0.52% C 0.05%
With hydrogen at 380℃; under 760.051 Torr; for 4h; Flow reactor;

...Expand

: 622-98-0
4-chloro(ethylbenzene)

: 74-96-4
ethyl bromide

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With sodium

: 100-41-4
ethylbenzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
at 24℃; under 72079.8 Torr; Leiten ueber ein Gemisch von Difluorophosphorsaeure und Borfluorid;

: 541-41-3
chloroformic acid ethyl ester

: 71-43-2
benzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With aluminium trichloride

: 106-37-6
1.4-dibromobenzene

: 75-03-6
ethyl iodide

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With sodium

: 74-96-4
ethyl bromide

: 71-43-2
benzene

A: 141-93-5
m-diethylbenzene

B: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With aluminium trichloride Trennung durch Darstellung der Sulfonsaeuren;

...Expand

: 74-96-4
ethyl bromide

: 71-43-2
benzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With aluminium trichloride durch Behandeln mit rauchender Schwefelsaeure;

: 74-85-1
ethene

: 71-43-2
benzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With aluminium trichloride at 70℃;
With catalyst beds at 370 - 400℃; under 5250.53 Torr;

: 64-17-5
ethanol

: 100-41-4
ethylbenzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With As-HZSM-5 zeolite at 399.9℃; under 304 Torr; Product distribution; other zeolites;
With As-HZSM-5 zeolite at 399.9℃; under 304 Torr; Yield given;
Ga-Al-ZSM-5 derived catalysts A-F at 330℃; Product distribution / selectivity; Gas phase;
With B2O3/ZSM-5 at 359.84℃; for 6h; Inert atmosphere; Flow reactor;

: 64-17-5
ethanol

: 100-41-4
ethylbenzene

A: 141-93-5
m-diethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

D: 108-88-3
toluene

E: 71-43-2
benzene

Conditions

Conditions	Yield
HZSM-5 type zeolite at 399.9℃; Product distribution; modified catalysts; p-selectivity in diethylbenzene;
With hydrogen at 380℃; under 760.051 Torr; for 4h;

...Expand

: 64-17-5
ethanol

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 106-42-3
para-xylene

C: 100-41-4
ethylbenzene

D: 622-96-8
4-methylethylbenzene

E: 105-05-5
1,4-diethylbenzene

F: 108-88-3
toluene

Conditions

Conditions	Yield
ZSM-5-2 In gaseous matrix at 339.9℃; under 760 Torr; Product distribution; contact time 0.25 s; with ZSM-5-1 and SilAl2; other temperature; shape effects in the conversion;

...Expand

: 74-85-1
ethene

: 100-41-4
ethylbenzene

A: 141-93-5
m-diethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

Conditions

Conditions	Yield
H-ZSM-5 catalyst at 400℃; Product distribution; alkylation of benzene and momosubstituted benzenes with ethylene over H-ZSM-5 and mordenite-H catalysts; isomerization of ethylarenes over H-mordenite;

...Expand

: 100-41-4
ethylbenzene

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 622-96-8
4-methylethylbenzene

C: 141-93-5
m-diethylbenzene

D: 105-05-5
1,4-diethylbenzene

E: 253185-02-3
ortho-diethylbenzene

F: 71-43-2
benzene

Conditions

Conditions	Yield
With hydrogen; HTsVM zeolite at 400℃; under 11250.9 Torr; Product distribution; var. catalyst;

...Expand

: 100-41-4
ethylbenzene

A: 141-93-5
m-diethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

D: 71-43-2
benzene

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 25℃; Product distribution; var. time, effect of add. mesitylene and 1,3,5-triethylbenzene;
zeolite SSZ-53 Product distribution; Further Variations:; Temperatures; atmospheric pressure;

...Expand

: 36262-33-6
dispiro<2.2.2.2>deca-4,9-diene

A: 13990-93-7
trans-1,4-Diethylcyclohexan

B: 13990-92-6
cis-1,4-Diethylcyclohexan

C: 105-05-5
1,4-diethylbenzene

D: 105786-53-6
6-Ethylspiro<2.5>octan

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate Ambient temperature; Yield given. Yields of byproduct given;
With hydrogen; palladium on activated charcoal In ethyl acetate Product distribution; Mechanism; Ambient temperature; further catalysts; further solvents;
With hydrogen; palladium on activated charcoal In 2,2,4-trimethylpentane at 25℃; Thermodynamic data; ΔHH;

...Expand

: 36262-33-6
dispiro<2.2.2.2>deca-4,9-diene

A: 13990-92-6
cis-1,4-Diethylcyclohexan

B: 105-05-5
1,4-diethylbenzene

C: 24518-94-3
Dispiro<2.2.2.2>decan

D: 105786-53-6
6-Ethylspiro<2.5>octan

Conditions

Conditions	Yield
With hydrogen; platinum on activated charcoal In ethyl acetate Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 64-17-5
ethanol

: 108-88-3
toluene

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 611-14-3
2-Ethyltoluene

C: 622-96-8
4-methylethylbenzene

D: 141-93-5
m-diethylbenzene

E: 105-05-5
1,4-diethylbenzene

F: 253185-02-3
ortho-diethylbenzene

Conditions

Conditions	Yield
With zeolit derivatives Product distribution; various zeolit products, various mol ratio, and temperature;

...Expand

: 74-85-1
ethene

: 108-88-3
toluene

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 622-96-8
4-methylethylbenzene

C: 105-05-5
1,4-diethylbenzene

D: 874-41-9
1-ethyl-2,4-dimethyl-benzene

Conditions

Conditions	Yield
With phosphorus-modified zeolite-ZSM-5 at 320℃; Further byproducts given. Title compound not separated from byproducts;	A 26.97 % Chromat. B 13.77 % Chromat. C 0.7 % Chromat. D 0.91 % Chromat.

...Expand

: 106-42-3
para-xylene

: 77-78-1
dimethyl sulfate

A: 622-96-8
4-methylethylbenzene

B: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With n-butyllithium; potassium tert-butylate 1.) hexane, reflux, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 74-85-1
ethene

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 253185-03-4, 253185-04-5
tert-butylbenzene

C: 100-41-4
ethylbenzene

D: 105-05-5
1,4-diethylbenzene

E: 108-88-3
toluene

Conditions

Conditions	Yield
superhigh-silica zeolites H form Rate constant; Product distribution; Mechanism; study of catalytic properties of catalysts containing 20 percent H-SHSZ and 80 percent γ-alumina; effect of components used at catalyst synthesis on the catalytic activity; various reaction conditions;

...Expand

: 105-05-5
1,4-diethylbenzene

: 28975-74-8
diethyl methylthio(chloro)methanephosphonate

: 107126-15-8
[(2,5-Diethyl-phenyl)-methylsulfanyl-methyl]-phosphonic acid diethyl ester

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane for 0.666667h; Ambient temperature;	99%

: 105-05-5
1,4-diethylbenzene

: 96802-17-4
1,4-diethyl-2,5-diiodobenzene

Conditions

Conditions	Yield
With sulfuric acid; iodine; periodic acid In water; acetic acid at 95℃; for 24h;	99%
With sulfuric acid; iodine; periodic acid In water; acetic acid at 100℃; for 22h;	56%

: 157371-60-3
Cu(OCH(C6H5)2)(P(C6H5)3)3

: 105-05-5
1,4-diethylbenzene

: (P(C6H5)3)Cu(CCC6H4CC)Cu(P(C6H5)3)

Conditions

Conditions	Yield
In diethyl ether inert atmosphere; room temp.; stirring; 2 h;; ppt. washed with hexane; elem. anal.;;	96%

: 105-05-5
1,4-diethylbenzene

: 625-36-5
2-chloropropionyl chloride

: 3-chloro-1-(2,5-diethylphenyl)-propan-1-one

Conditions

Conditions	Yield
With aluminum (III) chloride; nitromethane at 19 - 22℃; under 760.051 Torr; Friedel Crafts acylation; Inert atmosphere;	94%
With aluminium trichloride In nitromethane for 5h; Ambient temperature;

: 105-05-5
1,4-diethylbenzene

: 19859-12-2
2,5-diethylbenzene-1-sulfonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane; benzene	94%

: 105-05-5
1,4-diethylbenzene

: 937-30-4
4-ethylacetophenone

Conditions

Conditions	Yield
With Iron(III) nitrate nonahydrate; N-hydroxyphthalimide; acetic acid at 110℃; for 10h;	91%
With chromium(VI) oxide; Ce(2+)*2O4S(2-) In acetic acid at 5 - 50℃; for 5h;	89%
With FeH6Mo6O24(3-)3H3N3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane at 70℃; for 24h;	83%

: 105-05-5
1,4-diethylbenzene

: 7439-89-6
iron

A: 2-(2-Nitro-4-ethyl-5-thiophenyl-phenyl)propanol

B: 52076-43-4
2,5-diethyl-bromobenzene

Conditions

Conditions	Yield
In bromine	A n/a B 90%

...Expand

: 105-05-5
1,4-diethylbenzene

: 52076-43-4
2,5-diethyl-bromobenzene

Conditions

Conditions	Yield
With bromine; iron at 20℃; Cooling with ice;	90%

: 105-05-5
1,4-diethylbenzene

: 1369920-85-3
1,4-diethyl-2-iodobenzene

Conditions

Conditions	Yield
With sulfuric acid; potassium 4-iodylbenzene-1-sulfonate; iodine In water; acetonitrile at 65℃; for 12h;	89%
With sulfuric acid; iodine; acetic acid; periodic acid In water at 95℃; for 0.416667h; Inert atmosphere;	82%

: 105-05-5
1,4-diethylbenzene

: 147749-35-7
2-(4-methoxyphenylamino)acetic acid methyl ester

: methyl 4-(4-ethylphenyl)-6-methoxyquinoline-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 1,4-diethylbenzene With 2,3-dicyano-5,6-dichloro-p-benzoquinone; copper dichloride at 90℃; for 2h; Stage #2: 2-(4-methoxyphenylamino)acetic acid methyl ester With oxygen at 20 - 60℃; regioselective reaction;	88%

: 105-05-5
1,4-diethylbenzene

: 124654-04-2
1,2,4,5-tetrabromo-3,6-diethylbenzene

Conditions

Conditions	Yield
With bromine; iron at 0 - 6℃;	87%
With aluminum tri-bromide; bromine
With beryllium; diethyl ether; bromine

: 105-05-5
1,4-diethylbenzene

: 70-55-3
toluene-4-sulfonamide

: 885412-71-5
N-(α-methyl-4-ethylbenzyl)-p-toluenesulfonamide

Conditions

Conditions	Yield
With tetrabutylammonium tetrafluoroborate In 1,2-dichloro-ethane at 20℃; for 2.5h; Electrochemical reaction; Inert atmosphere; regioselective reaction;	82%
With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione In tetrachloromethane at 60℃; for 24h; Inert atmosphere; Darkness;	79%

: 105-05-5
1,4-diethylbenzene

: 1-(1-azidoethyl)-4-ethylbenzene

Conditions

Conditions	Yield
With Cu(2,9-bis(panisyl)-1,10-phenanthroline)2Cl; 1-azido-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one In acetonitrile at 20℃; for 16h; Sealed tube; Inert atmosphere; Irradiation;	82%

: 105-05-5
1,4-diethylbenzene

: 1009-61-6
1,4-Diacetylbenzene

Conditions

Conditions	Yield
With dihydrogen peroxide; cobalt(II) diacetate tetrahydrate; potassium bromide In acetic acid at 80℃; for 6h; Reagent/catalyst; Solvent; Temperature;	80%
With FeH6Mo6O24(3-)3H3N3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane at 70℃; for 24h;	76%
With tert.-butylnitrite; N-hydroxyphthalimide In acetonitrile at 80℃; for 24h; Schlenk technique;	71%

: 105-05-5
1,4-diethylbenzene

A: 937-30-4
4-ethylacetophenone

B: 1009-61-6
1,4-Diacetylbenzene

Conditions

Conditions	Yield
With ruthenium trichloride; iodobenzene; potassium peroxymonosulfate In water; acetonitrile at 20℃; for 3h; Inert atmosphere;	A 77% B 11%
With Oxone In water; acetonitrile at 20℃; for 12h;	A 77% B 15%
With tert.-butylhydroperoxide; 1-n-butyl-3-methylimidazolim bromide In water at 20℃; for 12h;	A 44% B 22%
With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 3h;
With tert.-butylnitrite; N-hydroxyphthalimide; oxygen In acetonitrile at 80℃; under 760.051 Torr; for 24h; Schlenk technique;	A 62 %Spectr. B 12 %Spectr.

: 105-05-5
1,4-diethylbenzene

: 7468-67-9
o-formylbenzonitrile

: 3-(2,5-diethylphenyl)isoindolin-1-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In nitromethane Schlenk technique; Reflux; regioselective reaction;	77%

: 111-14-8
oenanthic acid

: 105-05-5
1,4-diethylbenzene

: 1-(2,5-diethylphenyl)-1-heptanone

Conditions

Conditions	Yield
With europium(III) bis(trifluoromethylsulfonyl)imide at 250℃; for 12h; Friedel-Crafts acylation;	74%

: copper(II) hexafluoro-2,4-pentanedionate

: 872209-62-6
4,4,5,5-pentamethyl-2-(1'-n-butyl-pyrazole-4'-yl)-4,5-dihydro-1H-imidazolyl-3-oxide-1-oxyl

: 105-05-5
1,4-diethylbenzene

: Cu(hexafluoroacetylacetonate)2(2-(1-butyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl)*1/2C10H14 Cu(CH(COCF3)2)2(C14H23N4O2)*0.5C10H14, high temperature

Conditions

Conditions	Yield
In further solvent(s) dissolving mixt. of copper compd. and nitronyl nitroxide deriv. in 1,4-diethylbenzene with heating to 70°C for 2-3 min; cooling to room temp., keeping with slow evapn. at 5°C for 1-2 d,filtration, washing with cold heptane, air drying, elem. anal.;	71%

...Expand

: 621-84-1
O-benzyl carbamate

: 105-05-5
1,4-diethylbenzene

: benzyl (1-(4-ethylphenyl)ethyl)carbamate

Conditions

Conditions	Yield
With 2,2'-isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]; N-fluorobis(benzenesulfon)imide; copper(l) chloride In acetonitrile at 60℃; for 24h; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube;	69%

: 105-05-5
1,4-diethylbenzene

: 15728-44-6
1-(4-methyl-benzenesulfonyl)-benzimidazole

: (E)-1-ethyl-4-(2-tosylvinyl)benzene

Conditions

Conditions	Yield
With N-chloro-succinimide; copper(I) trifluoromethanesolfonate toluene complex; iron(III) perchlorate hydrate; 3,4,7,8-Tetramethyl-o-phenanthrolin; di-tert-butyl peroxide; lithium carbonate; lithium bromide In toluene at 120℃; for 36h; Schlenk technique; Inert atmosphere; Molecular sieve;	69%

: 105-05-5
1,4-diethylbenzene

: 51-79-6
urethane

: ethyl (1-(4-ethylphenyl)ethyl)carbamate

Conditions

Conditions	Yield
With 2,2'-isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]; N-fluorobis(benzenesulfon)imide; copper(l) chloride In acetonitrile at 60℃; for 24h; Glovebox; Inert atmosphere; Sealed tube;	64%

: 110-91-8
morpholine

: 105-05-5
1,4-diethylbenzene

: 1127405-04-2
1-(4-ethylphenyl)-2-(morpholin-4-yl)ethane-1,2-dione

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(l) iodide In neat (no solvent) at 50℃; for 24h;	62%

: 105-05-5
1,4-diethylbenzene

A: 937-30-4
4-ethylacetophenone

B: 1009-61-6
1,4-Diacetylbenzene

C: 33967-18-9
1-(4-ethylphenyl)ethanol

Conditions

Conditions	Yield
With cerium(IV) triflate; water at 20℃; for 25h;	A 61.3% B 33.3% C 3.6%

...Expand

: 105-05-5
1,4-diethylbenzene

: 40787-48-2
1,4-dibromo-2,5-diethylbenzene

Conditions

Conditions	Yield
With bromine; iodine at 0 - 20℃; for 2h;	60%
With bromine; iodine at 0 - 20℃; for 24h; Darkness;	60%

: 105-05-5
1,4-diethylbenzene

: 100-97-0
hexamethylenetetramine

: 1071619-00-5
2,5-diethylbenzaldehyde

Conditions

Conditions	Yield
With trifluoroacetic acid Heating;	54%

: 105-05-5
1,4-diethylbenzene

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 1267457-91-9
2-(4-ethylphenyl)-N,N-dimethyl-2-oxoacetamide

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide at 80℃; for 18h; Sealed tube;	54%

1,4-Diethylbenzene Specification

The Benzene, 1,4-diethyl-, with CAS registry number 105-05-5, belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Aromatic Ketones (substituted); (3)Alpha Sort; (4)Analytical Standards; (5)AromaticsVolatiles/ Semivolatiles; (6)Chemical Class; (7)D; (8)DAlphabetic; (9)DID - DINChemical Class; (10)Hydrocarbons; (11)Neats; (12)Arenes; (13)Building Blocks; (14)Organic Building Blocks. It has the systematic name of 1,4-diethylbenzene. The main use of this chemical is for solvent and organic synthesis.

Physical properties of Benzene, 1,4-diethyl-: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 918.05; (6)ACD/BCF (pH 7.4): 918.05; (7)ACD/KOC (pH 5.5): 4596.41; (8)ACD/KOC (pH 7.4): 4596.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 45.35 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 17.97×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 56.7 °C; (20)Enthalpy of Vaporization: 40.22 kJ/mol; (21)Boiling Point: 183.1 °C at 760 mmHg; (22)Vapour Pressure: 1.07 mmHg at 25°C.

Preparation: this chemical can be prepared by Ethanone, 1,1'-(1,4-phenylene)bis-. This reaction will need reagent H₂ and solvent methanol. The reaction time is 24 hour(s) with reaction temperature of 20 ℃. The yield is about 72%.

Uses of Benzene, 1,4-diethyl-: it can be used to produce 1,4-diethyl-2,5-diiodo-benzene. This reaction will need reagents I₂, H₅IO₆. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The Benzene, 1,4-diethyl- irritates to eyes, respiratory system and skin. And this chemical is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CC)CC
(2)InChI: InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(3)InChIKey: DSNHSQKRULAAEI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N

Product Name

1,4-Diethylbenzene

Synthetic route

1,4-Diethylbenzene Specification

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