(E)-1,3-Pentadiene supplier

Name
1,3-Pentadiene, (3E)-
EINECS 217-909-5
CAS No. 2004-70-8
Article Data118
CAS DataBase
Density 0.683 g/mL at 25 °C(lit.)
Solubility
Melting Point ?87 °C(lit.)
Formula C5H8
Boiling Point 42 °C(lit.)
Molecular Weight 68.1185
Flash Point °C
Transport Information UN 3295 3
Appearance
Safety Poison by intravenous route. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes 11-65
Molecular Structure
Hazard Symbols FXn
Synonyms 1,3-Pentadiene,(E)- (8CI); Piperylene, trans- (6CI); (3E)-1,3-Pentadiene; (E)-1,3-Pentadiene;(E)-Piperylene; 1,3-trans-Pentadiene; NSC 73901; trans-1,3-Pentadiene;trans-1-Methyl-1,3-butadiene; trans-1-Methylbutadiene; trans-Piperylene
PSA 0.00000
LogP 1.74850

Synthetic route

: 59967-14-5
2-iodo-4-pentene

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
With silver(I) acetate In benzene at 25℃; for 18h;	89%

: 202803-83-6
4,5-epithia-2-pentene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 3,6-dihydro-3-methyl-1,2-dithiin

Conditions

Conditions	Yield
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 at 25℃; for 24h;	A n/a B 86%
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 for 24h; Ambient temperature;	A n/a B 86 % Spectr.

: 83927-50-8, 88979-80-0
(1S,3S,7R)-3-Methyl-4-thia-tricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide

A: 2004-70-8
1-methylbuta-1,3-diene

B: 542-92-7
cyclopenta-1,3-diene

Conditions

Conditions	Yield
at 650℃; under 0.01 Torr; Title compound not separated from byproducts;	A 85% B n/a
at 650℃; Yields of byproduct given;

: 202803-83-6
4,5-epithia-2-pentene

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
Heating;	54%
With triphenylphosphine	54%

: 123-91-1
1,4-dioxane

: 4461-41-0
2-chloro-but-2-ene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 18476-57-8
4,5-dimethyl-2,6-octadiene

C: 1-methyl-2-butenylaluminum sesquichloride

Conditions

Conditions	Yield
With aluminium at 100 - 110℃; for 6h; Product distribution; ultrasonic bath;	A 15% B 50% C 18%

...Expand

: bis(2,4-pentadienyl)magnesium THF complex

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 591-93-5
1,4-Pentadiene

Conditions

Conditions	Yield
With acetic acid In benzene at 10℃; Product distribution; other protonolysis agents, other bis(dienyl)magnesium complex;	A 8% B 48% C 44%

...Expand

: 123-73-9
trans-Crotonaldehyde

: 1779-49-3
Methyltriphenylphosphonium bromide

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
With n-butyllithium In 1,4-dioxane; toluene at 20℃; Inert atmosphere;	39%

: (π-CH3CHCHCHCH3NiCl)2

A: 2004-70-8
1-methylbuta-1,3-diene

B: 124-18-5
decane

C: 109-68-2
2-pentene

Conditions

Conditions	Yield
In toluene 140°C;	A 10% B 20% C 30%

...Expand

: 115-11-7
isobutene

A: 106-98-9
1-butylene

B: 590-18-1
(Z)-2-Butene

C: 513-35-9
2-methyl-but-2-ene

D: 1574-41-0
Z-piperylene

E: 2004-70-8
1-methylbuta-1,3-diene

F: 187737-37-7
propene

G: 34557-54-5
methane

H: 624-64-6
trans-2-Butene

I: 627-20-3
(Z)-pent-2-ene

J: 646-04-8
(E)-pent-2-ene

K: 74-84-0
ethane

L: 74-98-6
propane

M: 75-28-5
Isobutane

N: 78-78-4
methylbutane

O: 74-85-1
ethene

P: 109-67-1
1-penten

Q: 287-92-3
Cyclopentane

R: 563-46-2
2-Methyl-1-butene

S: 563-45-1
3-Methyl-1-butene

T: 142-29-0
cyclopentene

U: 106-97-8
n-butane

V: 109-66-0
pentane

Conditions

Conditions	Yield
CBV1502 at 579.84℃; under 900.09 Torr; Product distribution / selectivity;	A 2.6% B 2.4% C 1.29% D 0.05% E 0.03% F 24.95% G 0.73% H 3.19% I 0.32% J 0.58% K 0.36% L 2.08% M 2.15% N 0.34% O 9.61% P 0.23% Q 0.4% R 0.71% S 0.14% T 0.14% U 1.8% V 0.16%
CBV28014 at 509.84℃; under 900.09 Torr; Product distribution / selectivity;	A 6.71% B 7.3% C 5.62% D 0.02% E 0.03% F 23.29% G 0.09% H 9.97% I 1.1% J 2.06% K 0.07% L 1.24% M 1.95% N 0.59% O 3.25% P 0.7% Q 0.31% R 2.72% S 0.47% T 0.21% U 1.37% V 0.26%

...Expand

: 591-93-5
1,4-Pentadiene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 693-86-7
ethenylcyclopropane

C: 542-92-7
cyclopenta-1,3-diene

D: 106-99-0
buta-1,3-diene

E: 142-29-0
cyclopentene

Conditions

Conditions	Yield
Product distribution; Mechanism; Plasmolysis (40 W, 3.48mmol/min, 13.56 MHz);	A n/a B 5% C 21% D n/a E 18%

...Expand

: 1574-41-0
Z-piperylene

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
silver trifluoromethanesulfonate In acetonitrile for 2h; Irradiation;	18.4%
In acetonitrile for 1h; Quantum yield; Product distribution; Irradiation; different reaction times;
In benzene Quantum yield; Irradiation; 1-isopropylanthrone as photosensitizer;

: (π-CH3CHCHCHCH3NiCl)2

: 527-21-9
2,3,5,6-tetrafluoro-1,4-benzoquinone

A: 2004-70-8
1-methylbuta-1,3-diene

B: dipentenyl

Conditions

Conditions	Yield
In toluene molar ratio (CH3CHCHCHCH3NiCl)2:tetrafluoro-p-benzoquinone 1:1, 20°C;	A 13% B 4%

...Expand

: (π-CH3CHCHCHCH3NiCl)2

: 118-75-2
chloranil

A: 2004-70-8
1-methylbuta-1,3-diene

B: dipentenyl

Conditions

Conditions	Yield
In toluene molar ratio (CH3CHCHCHCH3NiCl)2:tetrachloro-p-benzoquinone 1:1, 20°C;	A 13% B 1%
In toluene molar ratio (CH3CHCHCHCH3NiCl)2:tetrachloro-p-benzoquinone 1:1, 10°C;	A 10-12 B 5-6
In toluene molar ratio (CH3CHCHCHCH3NiCl)2:tetrachloro-p-benzoquinone 1:1, 50°C;	A 19-24 B 3-4

...Expand

: 1574-41-0
Z-piperylene

A: 689-97-4
3-buten-1-yne

B: 2004-70-8
1-methylbuta-1,3-diene

C: 4461-48-7
4-methyl-2-pentene

D: 542-92-7
cyclopenta-1,3-diene

E: 106-99-0
buta-1,3-diene

F: 74-86-2
acetylene

Conditions

Conditions	Yield
at 20℃; under 0.4 Torr; Product distribution; Irradiation; variation of pressure and additives;	A 0.2% B 0.3% C 0.13% D 0.25% E 0.09% F 0.22%

...Expand

: 110-80-5
2-ethoxy-ethanol

: 10524-06-8
(±)-(1-chloroethyl)cyclopropane

A: 2004-70-8
1-methylbuta-1,3-diene

B: 693-86-7
ethenylcyclopropane

Conditions

Conditions	Yield
With potassium hydroxide Siedetemperatur;

...Expand

: 7371-86-0
2,4-diacetoxy-pentane

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 591-93-5
1,4-Pentadiene

Conditions

Conditions	Yield
at 575 - 600℃;

...Expand

: (+/-)-trimethyl-(1-methyl-but-2t-enyl)-ammonium; trimethyl-(1-methyl-but-2t-enyl)-ammonium hydroxide

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
at 160℃;

: 142-29-0
cyclopentene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 627-19-0
1-Pentyne

Conditions

Conditions	Yield
at 1227℃; Equilibrium constant;

: 689-97-4
3-buten-1-yne

: 4143-42-4
(Z)-azomethane

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 627-19-0
1-Pentyne

D: 922-59-8
3-methyl-1-pentyne

E: 2787-45-3
(Z)-3-methyl-1,3-pentadiene

Conditions

Conditions	Yield
In gas at 299.9℃; Thermodynamic data; Rate constant; Kinetics; Heating; other temperature;

...Expand

: 504-60-9
penta-1,3-diene

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 627-20-3
(Z)-pent-2-ene

D: 646-04-8
(E)-pent-2-ene

E: 109-67-1
1-penten

F: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen; rhenium In methanol at 100℃; under 18751.5 Torr; for 4h; Product distribution; various rhenium complexes with cyclic sulfides as catalysts of hydrogenation and isomeization of olefins;

...Expand

: 1574-41-0
Z-piperylene

: 81095-66-1
3-bromobicyclo<3.2.1>oct-2-en-7-one

A: 2004-70-8
1-methylbuta-1,3-diene

: 81095-74-1
1-bromotricyclo<3.2.1.02,7>octan-3-one

: 81095-71-8
1-bromobicyclo<3.2.1>oct-2-en-7-one

Conditions

Conditions	Yield
With acetophenone In benzene Product distribution; Mechanism; Irradiation; cis-piperylene concentration dependence, other solvent;

...Expand

: 1574-41-0
Z-piperylene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 627-20-3
(Z)-pent-2-ene

C: 646-04-8
(E)-pent-2-ene

D: 109-67-1
1-penten

E: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen at 49.9℃; Mechanism; effect of different MoO3/Al2O3 catalysts;

...Expand

: 187737-37-7
propene

A: 106-98-9
1-butylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 107-01-7
butene-2

D: 74-85-1
ethene

E: 106-99-0
buta-1,3-diene

F: 115-11-7
isobutene

Conditions

Conditions	Yield
at 518.9℃; under 100 Torr; Product distribution; Rate constant; Mechanism; thermal reaction of propene, effect of the walls of the reactor;

...Expand

: 591-93-5
1,4-Pentadiene

: 2004-70-8
1-methylbuta-1,3-diene

Conditions

Conditions	Yield
With potassium salt of 1,3-diaminopropane In dimethyl sulfoxide at 5℃; Thermodynamic data; other solvent: cyclohexylamine, other temperature: 15 degC; ΔH(isomer.);

: 591-93-5
1,4-Pentadiene

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 542-92-7
cyclopenta-1,3-diene

Conditions

Conditions	Yield
Ambient temperature; Irradiation;
Product distribution; Ambient temperature; Irradiation; investigated effect of argon buffer gas and fluence dependence;

...Expand

: 591-93-5
1,4-Pentadiene

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 78-79-5
isoprene

Conditions

Conditions	Yield
DpSc-H at 140℃; Product distribution;

...Expand

: 627-20-3
(Z)-pent-2-ene

A: 1574-41-0
Z-piperylene

B: 2004-70-8
1-methylbuta-1,3-diene

C: 34557-54-5
methane

D: 646-04-8
(E)-pent-2-ene

E: 74-85-1
ethene

F: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
With (per)acetylperoxyboric acid; hydrogen; oxygen at 480℃; Mechanism;	A 6.0 % Chromat. B 14.7 % Chromat. C 11.0 % Chromat. D 30.5 % Chromat. E 11.0 % Chromat. F 9.8 % Chromat.

...Expand

: 7642-09-3
cis-3-hexene

A: 107-00-6
but-1-yne

B: 2004-70-8
1-methylbuta-1,3-diene

C: 34557-54-5
methane

D: 74-85-1
ethene

E: 106-99-0
buta-1,3-diene

F: 74-86-2
acetylene

Conditions

Conditions	Yield
With oxygen under 0.1 - 60 Torr; Quantum yield; Mechanism; Irradiation; effect of pressure on the product distribution , and of the wave length on the product distribution and on fragmentation pattern;

...Expand

: 674-76-0
(E)-4-methylpent-2-ene

A: 2004-70-8
1-methylbuta-1,3-diene

B: 106-99-0
buta-1,3-diene

C: 78-79-5
isoprene

Conditions

Conditions	Yield
at 660 - 750℃; Thermodynamic data; Kinetics; Product distribution; cracking, reaction time 0.05 to 1.5 sec.;

...Expand

: 2004-70-8
1-methylbuta-1,3-diene

: 30758-46-4
2-formyl-4,4-dimethylcyclohexa-2,5-dien-1-one

: 77994-85-5
(4aS,5S,8aS)-1,1,5-Trimethyl-4-oxo-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carbaldehyde

Conditions

Conditions	Yield
In benzene at 70℃;	100%

: 2004-70-8
1-methylbuta-1,3-diene

: 4-chloro-1-pentafluorosulfanylpent-2-ene

Conditions

Conditions	Yield
With pentafluorosulfanyl chloride; triethyl borane In hexane at -30 - 20℃;	100%

: 2004-70-8
1-methylbuta-1,3-diene

: (π-CD3CDCDCD2NiI)2

: (π-C4D7CHCHCHCH3NiI)2

Conditions

Conditions	Yield
In benzene educts in stochiometric amt.;	100%

: 2004-70-8
1-methylbuta-1,3-diene

: (π-CD3CDCDCD2NiI)2

: anti-(C4(2)H7CHCHCH(CH3)NiI)2

Conditions

Conditions	Yield
in stoihometric amt.;	100%
in stoihometric amt.;	100%

: 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)

: 2004-70-8
1-methylbuta-1,3-diene

: 594-09-2
trimethylphosphane

: 1373229-50-5, 1373244-44-0
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(PMe3)]

Conditions

Conditions	Yield
In acetonitrile; benzene byproducts: naphthalene; under N2, Schlenk and vacuum techniques; suspn. of Ru complex (NCCH3) treated with satd. soln. of CH2CHCHCH2CH3 (benzene) at room temp. for 1 h,then treated with PMe3; evapd. to dryness under vac., extracted with hexane, filtered, concd. (vac.), crystd. at cooling for 2 d (dry ice);	100%

...Expand

: 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)

: 2004-70-8
1-methylbuta-1,3-diene

: 100-47-0
benzonitrile

: 1373229-34-5, 1373244-42-8
Ru[η(4)-cisoid-(E)-1,3-pentadiene](η(4)-1,5-COD)-(NCMe)

Conditions

Conditions	Yield
In acetonitrile; benzene byproducts: naphthalene; under N2, Schlenk and vacuum techniques; suspn. of Ru complex (NCCH3) treated with satd. soln. of CH2CHCHCH2CH3 (benzene) at room temp. for 1 h; evapd. to dryness under vac., extracted with hexane, filtered, concd. (vac.), crystd. at cooling for 2 d (dry ice);	100%

...Expand

: 2004-70-8
1-methylbuta-1,3-diene

: 75714-50-0
7-methyl-1,4-dioxaspiro<4.5>deca-6,9-dien-8-one

: 344285-35-4
C14H18O3

Conditions

Conditions	Yield
With molecular sieve In dichloromethane at 23℃; for 16h; Diels-Alder reaction;	99%

: 4143-61-7
diethyl diazodicarboxylate

: 2004-70-8
1-methylbuta-1,3-diene

: 104116-54-3
diethyl 3-methyl-1,2,3,6-tetrahydro-1,2-pyridazincarboxylate

Conditions

Conditions	Yield
With lanthanum(lll) triflate at 20℃; for 0.5h; hetero-Diels-Alder reaction;	99%

: 697758-88-6
N-(4,4-dimethoxy-cyclohexa-2,5-dienylidene)-4-nitro-benzenesulfonamide

: 2004-70-8
1-methylbuta-1,3-diene

: N-(4-methoxy-8-methyl-5,8-dihydro-naphthalen-1-yl)-4-nitro-benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: N-(4,4-dimethoxy-cyclohexa-2,5-dienylidene)-4-nitro-benzenesulfonamide; 1-methylbuta-1,3-diene With 2,6-di-tert-butyl-4-methyl-phenol In toluene at 100℃; for 7h; Diels-Alder reaction; Stage #2: With hydrogenchloride In tetrahydrofuran for 0.5h;	99%

: 2004-70-8
1-methylbuta-1,3-diene

: 19656-74-7
N,N'-di-tert-butyldiaziridinone

: 1,3-di-tert-butyl-4-methyl-5-vinyl-imidazolidin-2-one

Conditions

Conditions	Yield
With copper(I) bromide In chloroform-d1 at 0℃; for 20h; Inert atmosphere; regioselective reaction;	99%
tetrakis(triphenylphosphine) palladium(0) In benzene-d6 at 65℃; for 0.5h;	94%
With sodium tert-pentoxide; N-heterocyclic carbene-Pd(0) complex In tetrahydrofuran at 65℃; for 12h;	94%

: 2004-70-8
1-methylbuta-1,3-diene

: 19656-74-7
N,N'-di-tert-butyldiaziridinone

: C14H26N2O

Conditions

Conditions	Yield
With copper(I) bromide In chloroform at 0℃; for 20h; Inert atmosphere; regioselective reaction;	99%

: 2004-70-8
1-methylbuta-1,3-diene

: 77630-17-2
2-Formyl-4,4-dimethyl-6-(phenylselenenyl)cyclohexa-2,5-dienone

: 77994-86-6
(4aS,5S,8aS)-1,1,5-Trimethyl-4-oxo-3-phenylselanyl-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carbaldehyde

Conditions

Conditions	Yield
In benzene at 70℃;	98%

: 2004-70-8
1-methylbuta-1,3-diene

: 123395-80-2
3,3-dimethyl-6-oxo-cyclohexa-1,4-dienecarbonitrile

: (4aS,5S,8aS)-1,1,5-Trimethyl-4-oxo-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carbonitrile

Conditions

Conditions	Yield
With zinc(II) chloride In diethyl ether at 20℃; for 5h; Cycloaddition; Diels-Alder reaction;	98%

: 2004-70-8
1-methylbuta-1,3-diene

: 62-53-3
aniline

: 216437-12-6
2,4,6-tri(1-methylbut-2-en-1-yl)aniline

Conditions

Conditions	Yield
With aluminium trichloride In benzene at 130℃; for 5h;	98%

: 101-02-0
triphenyl phosphite

: 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)

: 2004-70-8
1-methylbuta-1,3-diene

: 1373229-48-1
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(P(OPh)3)]

Conditions

Conditions	Yield
In acetonitrile; benzene byproducts: naphthalene; under N2, Schlenk and vacuum techniques; suspn. of Ru complex (NCCH3) treated with satd. soln. of CH2CHCHCH2CH3 (benzene) at room temp. for 1 h,then treated with P(OPh)3; evapd. to dryness under vac., extracted with hexane, filtered, concd. (vac.), crystd. at cooling for 2 d (dry ice);	98%

...Expand

: 2004-70-8
1-methylbuta-1,3-diene

: 90388-37-7
N-(2,4-dichloro-6-oxo-2,4-cyclohexadien-1-ylidene)-4-nitrobenzamide

: 118778-81-7
5,7-dichloro-3,4-dihydro-4-(4-nitrobenzoyl)-2-E-(1-propenyl)-2H-1,4-benzoxazine

Conditions

Conditions	Yield
In dichloromethane for 1h; Ambient temperature;	97%

: 2004-70-8
1-methylbuta-1,3-diene

: 130-15-4
[1,4]naphthoquinone

: 71316-98-8
1-Methyl-1,4,4a,9a-tetrahydro-anthraquinone

Conditions

Conditions	Yield
	97%

: 2004-70-8
1-methylbuta-1,3-diene

: 686-46-4
methyl 2-acetoxyacrylate

: 70291-20-2
4-acetoxy-4-carbomethoxy-3-methylcyclohexene

Conditions

Conditions	Yield
With 2-hydroxyresorcinol at 160℃; for 20h; sealed, evacuated ampule;	97%

: 2004-70-8
1-methylbuta-1,3-diene

polypentadiene; monomer(s): trans-1,3-pentadiene: polypentadiene; monomer(s): trans-1,3-pentadiene

Conditions

Conditions	Yield
With aluminium trichloride In pentane at 20℃; for 2h;	97%

: 2004-70-8
1-methylbuta-1,3-diene

: 106501-69-3
N-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)benzamide

: 174182-76-4
N-(4-methoxy-8-methyl-5,8-dihydronaphthalen-1-yl)benzamide

Conditions

Conditions	Yield
Stage #1: 1-methylbuta-1,3-diene; N-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)benzamide In dichloromethane at 50℃; under 9750780 Torr; for 12h; Diels-Alder reaction; Stage #2: With hydrogenchloride In tetrahydrofuran for 0.5h;	97%

: 162763-85-1
dichloro[η(5):η(1)-N-dimethyl(tetramethylcyclopentadienyl)silyl(tert-butyl)amido]titanium

: 2004-70-8
1-methylbuta-1,3-diene

: (η5-C5Me4SiMe2N(t)Bu)Ti(1,3-pentadiene)

Conditions

Conditions	Yield
With nBuLi In hexane refluxing (45 - 60 min); filtering (room temp.), washing (hexane), evapn. (reduced pressure); elem. anal.;	97%

: 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)

: 2004-70-8
1-methylbuta-1,3-diene

: 2622-14-2
tricyclohexylphosphine

: 1373229-54-9
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(PCy3)]

Conditions

Conditions	Yield
In acetonitrile; benzene byproducts: naphthalene; under N2, Schlenk and vacuum techniques; suspn. of Ru complex (NCCH3) treated with satd. soln. of CH2CHCHCH2CH3 (benzene) at room temp. for 1 h,then treated with PCy3; evapd. to dryness under vac., extracted with hexane, filtered, concd. (vac.), crystd. at cooling for 2 d (dry ice);	97%

...Expand

: 2004-70-8
1-methylbuta-1,3-diene

: 40121-14-0, 42028-73-9
N,N’-di-tert-butylthiadiaziridine-1,1-dioxide

: C13H26N2O2S

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); (3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-bis-((R)-1-phenyl-ethyl)-amine In toluene at 65℃; for 3h; Sealed tube; Inert atmosphere; regioselective reaction;	97%

: 2004-70-8
1-methylbuta-1,3-diene

: 1073-14-9
4,4-dimethylcyclohexa-2,5-dienone

: 70358-61-1, 78006-86-7, 112252-05-8, 112252-06-9
4,4,8α-tetramethyl-4aβ,5,8,8aβ-tetrahydro-1(4H)-naphthalenone

Conditions

Conditions	Yield
at 150℃; for 36h;	96%
boron trifluoride diethyl etherate In diethyl ether for 192h; Ambient temperature;	69%
With boron trifluoride diethyl etherate
aluminium trichloride at 40℃; for 21h; Yield given;

: 2004-70-8
1-methylbuta-1,3-diene

: 527-61-7
2,6-dimethyl-1,4-benzoquinone

: 51315-87-8
2,8,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; for 0.5h;	96%
With lithium perchlorate In diethyl ether for 0.25h; Ambient temperature;	80%
In benzene
titanium tetrachloride In dichloromethane at -78℃; for 0.5h;

: 2004-70-8
1-methylbuta-1,3-diene

: 96735-23-8
benzo[1,4]dithiin-1,1,4,4-tetraoxide

: 97984-13-9, 98048-74-9
1-Methyl-1,4,4a,10a-tetrahydro-thianthrene 5,5,10,10-tetraoxide

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 50℃; for 10h;	96%

: 2004-70-8
1-methylbuta-1,3-diene

: 3958-79-0
methyl 3,6-dioxocyclohexa-1,4-diene-1-carboxylate

: 5-methyl-1,4-dioxo-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carboxylic acid methyl ester

Conditions

Conditions	Yield
With 2,6-bis[(S)-4-phenyloxazolin-2-yl]pyridine*Sm(OTf)3 In tetrahydrofuran; toluene at -78℃; Diels-Alder cycloaddition;	96%

: 2004-70-8
1-methylbuta-1,3-diene

: 261927-30-4
2-iodo-3-methyl-2-butenoic acid

: 3-isopropylidene-5-(1-propenyl)dihydrofuran-2-one

Conditions

Conditions	Yield
With palladium diacetate; 1,1'-bis(di-tertbutylphosphino)ferrocene; tetrabutyl-ammonium chloride In N,N-dimethyl-formamide at 60℃; for 24h; Cycloaddition;	96%

: 2004-70-8
1-methylbuta-1,3-diene

: 25296-22-4
trans-1,4-dibromo-2-pentene

Conditions

Conditions	Yield
With bromine; 1-n-butyl-3-methylimidazolim bromide at 20℃;	95%
With bromine
With bromine In toluene at -15℃;

: 2004-70-8
1-methylbuta-1,3-diene

: 74-85-1
ethene

: 16483-83-3
(Z)-3-Methyl-1,4-hexadien

Conditions

Conditions	Yield
With CoCl2(1,4-bis(diphenylphosphino)butane); trimethylaluminum In dichloromethane; toluene at -10℃; under 760.051 Torr; for 6h; regioselective reaction;	95%
With (dad)Fe0 under 37503 Torr; Ambient temperature;
With CoCl2(1,4-bis(diphenylphosphino)butane); trimethylaluminum In dichloromethane; toluene at -10℃; under 760.051 Torr;	> 95 %Spectr.

(E)-1,3-Pentadiene Chemical Properties

Molecular Formula: C₅H₈
Molar mass: 68.117 g/mol
EINECS: 217-909-5
Density: 0.682 g/cm³
Index of Refraction: 1.415
Boiling Point: 44.1 °C at 760 mmHg
Vapour Pressure: 380 mmHg at 25 °C
Melting point: -87 °C(lit.)
Storage temp: Refrigerator
Stable: Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents.
Structure of (E)-1,3-Pentadiene (CAS NO.2004-70-8):

XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name of (E)-1,3-Pentadiene (CAS NO.2004-70-8): (3E)-Penta-1,3-diene
Canonical SMILES: CC=CC=C
Isomeric SMILES: C/C=C/C=C
InChI: InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N

(E)-1,3-Pentadiene Toxicity Data With Reference

ivn-mus LD50:18 mg/kg

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04179 .

(E)-1,3-Pentadiene Consensus Reports

Reported in EPA TSCA Inventory.

(E)-1,3-Pentadiene Safety Profile

Poison by intravenous route. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes of (E)-1,3-Pentadiene (CAS NO.2004-70-8): F, Harmful Xn
Risk Statements: 11-65-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
R65:Harmful: may cause lung damage if swallowed.
Safety Statements: 16-23-26-36-62
S16:Keep away from sources of ignition.
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

(E)-1,3-Pentadiene Specification

(E)-1,3-Pentadiene ,its cas register number is 2004-70-8. It also can be called Piperylene ; .beta.-Methylbivinyl ; 1,3-pentadiene, (3E)- ; (3E)-Penta-1,3-diene ; (3E)-1,3-Pentadiene and (3E)-1,3-Pentadien .

Product Name

1,3-Pentadiene, (3E)-

Synthetic route

(E)-1,3-Pentadiene Chemical Properties

(E)-1,3-Pentadiene Toxicity Data With Reference

(E)-1,3-Pentadiene Consensus Reports

(E)-1,3-Pentadiene Safety Profile

(E)-1,3-Pentadiene Specification

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