2-iodo-4-pentene
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
With silver(I) acetate In benzene at 25℃; for 18h; | 89% |
4,5-epithia-2-pentene
A
1-methylbuta-1,3-diene
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. |
(1S,3S,7R)-3-Methyl-4-thia-tricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
A
1-methylbuta-1,3-diene
B
cyclopenta-1,3-diene
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; |
4,5-epithia-2-pentene
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
Heating; | 54% |
With triphenylphosphine | 54% |
1,4-dioxane
2-chloro-but-2-ene
A
1-methylbuta-1,3-diene
B
4,5-dimethyl-2,6-octadiene
Conditions | Yield |
---|---|
With aluminium at 100 - 110℃; for 6h; Product distribution; ultrasonic bath; | A 15% B 50% C 18% |
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% |
trans-Crotonaldehyde
Methyltriphenylphosphonium bromide
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
With n-butyllithium In 1,4-dioxane; toluene at 20℃; Inert atmosphere; | 39% |
Conditions | Yield |
---|---|
In toluene 140°C; | A 10% B 20% C 30% |
isobutene
A
1-butylene
B
(Z)-2-Butene
C
2-methyl-but-2-ene
D
Z-piperylene
E
1-methylbuta-1,3-diene
F
propene
G
methane
H
trans-2-Butene
I
(Z)-pent-2-ene
J
(E)-pent-2-ene
K
ethane
L
propane
M
Isobutane
N
methylbutane
O
ethene
P
1-penten
Q
Cyclopentane
R
2-Methyl-1-butene
S
3-Methyl-1-butene
T
cyclopentene
U
n-butane
V
pentane
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% |
1,4-Pentadiene
A
1-methylbuta-1,3-diene
B
ethenylcyclopropane
C
cyclopenta-1,3-diene
D
buta-1,3-diene
E
cyclopentene
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% |
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; |
Conditions | Yield |
---|---|
In toluene molar ratio (CH3CHCHCHCH3NiCl)2:tetrafluoro-p-benzoquinone 1:1, 20°C; | A 13% B 4% |
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 |
Z-piperylene
A
3-buten-1-yne
B
1-methylbuta-1,3-diene
C
4-methyl-2-pentene
D
cyclopenta-1,3-diene
E
buta-1,3-diene
F
acetylene
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% |
2-ethoxy-ethanol
(±)-(1-chloroethyl)cyclopropane
A
1-methylbuta-1,3-diene
B
ethenylcyclopropane
Conditions | Yield |
---|---|
With potassium hydroxide Siedetemperatur; |
2,4-diacetoxy-pentane
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
1,4-Pentadiene
Conditions | Yield |
---|---|
at 575 - 600℃; |
Conditions | Yield |
---|---|
at 160℃; |
Conditions | Yield |
---|---|
at 1227℃; Equilibrium constant; |
3-buten-1-yne
(Z)-azomethane
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
1-Pentyne
D
3-methyl-1-pentyne
E
(Z)-3-methyl-1,3-pentadiene
Conditions | Yield |
---|---|
In gas at 299.9℃; Thermodynamic data; Rate constant; Kinetics; Heating; other temperature; |
penta-1,3-diene
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
(Z)-pent-2-ene
D
(E)-pent-2-ene
E
1-penten
F
pentane
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; |
Z-piperylene
3-bromobicyclo<3.2.1>oct-2-en-7-one
A
1-methylbuta-1,3-diene
1-bromotricyclo<3.2.1.02,7>octan-3-one
1-bromobicyclo<3.2.1>oct-2-en-7-one
Conditions | Yield |
---|---|
With acetophenone In benzene Product distribution; Mechanism; Irradiation; cis-piperylene concentration dependence, other solvent; |
Z-piperylene
A
1-methylbuta-1,3-diene
B
(Z)-pent-2-ene
C
(E)-pent-2-ene
D
1-penten
E
pentane
Conditions | Yield |
---|---|
With hydrogen at 49.9℃; Mechanism; effect of different MoO3/Al2O3 catalysts; |
propene
A
1-butylene
B
1-methylbuta-1,3-diene
C
butene-2
D
ethene
E
buta-1,3-diene
F
isobutene
Conditions | Yield |
---|---|
at 518.9℃; under 100 Torr; Product distribution; Rate constant; Mechanism; thermal reaction of propene, effect of the walls of the reactor; |
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.); |
1,4-Pentadiene
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
cyclopenta-1,3-diene
Conditions | Yield |
---|---|
Ambient temperature; Irradiation; | |
Product distribution; Ambient temperature; Irradiation; investigated effect of argon buffer gas and fluence dependence; |
1,4-Pentadiene
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
isoprene
Conditions | Yield |
---|---|
DpSc-H at 140℃; Product distribution; |
(Z)-pent-2-ene
A
Z-piperylene
B
1-methylbuta-1,3-diene
C
methane
D
(E)-pent-2-ene
E
ethene
F
acetaldehyde
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. |
cis-3-hexene
A
but-1-yne
B
1-methylbuta-1,3-diene
C
methane
D
ethene
E
buta-1,3-diene
F
acetylene
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; |
(E)-4-methylpent-2-ene
A
1-methylbuta-1,3-diene
B
buta-1,3-diene
C
isoprene
Conditions | Yield |
---|---|
at 660 - 750℃; Thermodynamic data; Kinetics; Product distribution; cracking, reaction time 0.05 to 1.5 sec.; |
1-methylbuta-1,3-diene
2-formyl-4,4-dimethylcyclohexa-2,5-dien-1-one
(4aS,5S,8aS)-1,1,5-Trimethyl-4-oxo-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carbaldehyde
Conditions | Yield |
---|---|
In benzene at 70℃; | 100% |
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
With pentafluorosulfanyl chloride; triethyl borane In hexane at -30 - 20℃; | 100% |
Conditions | Yield |
---|---|
In benzene educts in stochiometric amt.; | 100% |
Conditions | Yield |
---|---|
in stoihometric amt.; | 100% |
in stoihometric amt.; | 100% |
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)
1-methylbuta-1,3-diene
trimethylphosphane
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(PMe3)]
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% |
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)
1-methylbuta-1,3-diene
benzonitrile
Ru[η(4)-cisoid-(E)-1,3-pentadiene](η(4)-1,5-COD)-(NCMe)
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% |
1-methylbuta-1,3-diene
7-methyl-1,4-dioxaspiro<4.5>deca-6,9-dien-8-one
C14H18O3
Conditions | Yield |
---|---|
With molecular sieve In dichloromethane at 23℃; for 16h; Diels-Alder reaction; | 99% |
diethyl diazodicarboxylate
1-methylbuta-1,3-diene
diethyl 3-methyl-1,2,3,6-tetrahydro-1,2-pyridazincarboxylate
Conditions | Yield |
---|---|
With lanthanum(lll) triflate at 20℃; for 0.5h; hetero-Diels-Alder reaction; | 99% |
N-(4,4-dimethoxy-cyclohexa-2,5-dienylidene)-4-nitro-benzenesulfonamide
1-methylbuta-1,3-diene
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% |
1-methylbuta-1,3-diene
N,N'-di-tert-butyldiaziridinone
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% |
Conditions | Yield |
---|---|
With copper(I) bromide In chloroform at 0℃; for 20h; Inert atmosphere; regioselective reaction; | 99% |
1-methylbuta-1,3-diene
2-Formyl-4,4-dimethyl-6-(phenylselenenyl)cyclohexa-2,5-dienone
(4aS,5S,8aS)-1,1,5-Trimethyl-4-oxo-3-phenylselanyl-1,5,8,8a-tetrahydro-4H-naphthalene-4a-carbaldehyde
Conditions | Yield |
---|---|
In benzene at 70℃; | 98% |
1-methylbuta-1,3-diene
3,3-dimethyl-6-oxo-cyclohexa-1,4-dienecarbonitrile
Conditions | Yield |
---|---|
With zinc(II) chloride In diethyl ether at 20℃; for 5h; Cycloaddition; Diels-Alder reaction; | 98% |
1-methylbuta-1,3-diene
aniline
2,4,6-tri(1-methylbut-2-en-1-yl)aniline
Conditions | Yield |
---|---|
With aluminium trichloride In benzene at 130℃; for 5h; | 98% |
triphenyl phosphite
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)
1-methylbuta-1,3-diene
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(P(OPh)3)]
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% |
1-methylbuta-1,3-diene
N-(2,4-dichloro-6-oxo-2,4-cyclohexadien-1-ylidene)-4-nitrobenzamide
5,7-dichloro-3,4-dihydro-4-(4-nitrobenzoyl)-2-E-(1-propenyl)-2H-1,4-benzoxazine
Conditions | Yield |
---|---|
In dichloromethane for 1h; Ambient temperature; | 97% |
1-methylbuta-1,3-diene
[1,4]naphthoquinone
1-Methyl-1,4,4a,9a-tetrahydro-anthraquinone
Conditions | Yield |
---|---|
97% |
1-methylbuta-1,3-diene
methyl 2-acetoxyacrylate
4-acetoxy-4-carbomethoxy-3-methylcyclohexene
Conditions | Yield |
---|---|
With 2-hydroxyresorcinol at 160℃; for 20h; sealed, evacuated ampule; | 97% |
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
With aluminium trichloride In pentane at 20℃; for 2h; | 97% |
1-methylbuta-1,3-diene
N-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)benzamide
N-(4-methoxy-8-methyl-5,8-dihydronaphthalen-1-yl)benzamide
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% |
dichloro[η(5):η(1)-N-dimethyl(tetramethylcyclopentadienyl)silyl(tert-butyl)amido]titanium
1-methylbuta-1,3-diene
Conditions | Yield |
---|---|
With nBuLi In hexane refluxing (45 - 60 min); filtering (room temp.), washing (hexane), evapn. (reduced pressure); elem. anal.; | 97% |
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)
1-methylbuta-1,3-diene
tricyclohexylphosphine
[ruthenium(0)(η4-(E)-cisoid-1,3-pentadiene)(η4-1,5-COD)(PCy3)]
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% |
1-methylbuta-1,3-diene
N,N’-di-tert-butylthiadiaziridine-1,1-dioxide
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% |
1-methylbuta-1,3-diene
4,4-dimethylcyclohexa-2,5-dienone
4,4,8α-tetramethyl-4aβ,5,8,8aβ-tetrahydro-1(4H)-naphthalenone
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; |
1-methylbuta-1,3-diene
2,6-dimethyl-1,4-benzoquinone
2,8,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
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; |
1-methylbuta-1,3-diene
benzo[1,4]dithiin-1,1,4,4-tetraoxide
1-Methyl-1,4,4a,10a-tetrahydro-thianthrene 5,5,10,10-tetraoxide
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 50℃; for 10h; | 96% |
Conditions | Yield |
---|---|
With 2,6-bis[(S)-4-phenyloxazolin-2-yl]pyridine*Sm(OTf)3 In tetrahydrofuran; toluene at -78℃; Diels-Alder cycloaddition; | 96% |
1-methylbuta-1,3-diene
2-iodo-3-methyl-2-butenoic acid
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% |
1-methylbuta-1,3-diene
trans-1,4-dibromo-2-pentene
Conditions | Yield |
---|---|
With bromine; 1-n-butyl-3-methylimidazolim bromide at 20℃; | 95% |
With bromine | |
With bromine In toluene at -15℃; |
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. |
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
1. | 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 . |
Reported in EPA TSCA Inventory.
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,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 ,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 .
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