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1,3-Butadiene

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Name

1,3-Butadiene

EINECS 203-450-8
CAS No. 106-99-0 Density 0.638 g/cm3
PSA 0.00000 LogP 1.35840
Solubility Soluble in alcohol, ether, acetone, benzene, ethylene dichloride, amyl acetate, furfural and acetic acid copper ammonia solution, insoluble in water Melting Point -108.9 °C
Formula C4H6 Boiling Point -4.4 °C
Molecular Weight 54.09 Flash Point −105 °F
Transport Information UN 1010 2.1 Appearance colourless gas
Safety 53-45-62-46-36/37-26-61-33-16 Risk Codes 45-46-12-67-65-63-48/20-36/38-11-62-51/53-38
Molecular Structure Molecular Structure of 106-99-0 (1,3-Butadiene) Hazard Symbols HighlyF+,ToxicT,FlammableF,DangerousN
Synonyms

Biethylene;Bivinyl;Butadiene;Butadiene-1,3;Divinyl;Erythrene;Vinylethylene;a,g-Butadiene;

 

1,3-Butadiene Synthetic route

598-32-3

2-hydroxy-3-butene

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With gadolinium(III) phosphate at 230℃; Flow reactor; Inert atmosphere;99%
With scandium aluminium oxide; hydrogen at 318℃; Temperature; Flow reactor;95.4%
With water; trimethylamine at 230℃; Leiten ueber einen aus Aluminium, SiO2 und W2O5 hergestellten Katalysator;
106-98-9

1-butylene

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With oxygen; Bi-Mo oxide (1/1) at 400℃; Rate constant; also without O2;99%
With oxygen Gas phase;99.4%
With oxygen Flow reactor; Inert atmosphere;99.4%
513-85-9

2.3-butanediol

A

106-99-0

buta-1,3-diene

B

78-93-3

butanone

Conditions
ConditionsYield
In water at 500℃; Reagent/catalyst; Temperature;A 61.4%
B 24.8%
With scandium(III) oxide; hydrogen at 425℃; for 5h; Flow reactor;
With lutetium(III) oxide; hydrogen at 425℃; for 5h; Flow reactor;
6117-91-5

(E/Z)-2-buten-1-ol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With silica-alumina In hexane at 175 - 200℃; under 760.051 Torr; for 39h; Time; Inert atmosphere;96%
With 4-toluidinium hydrogen sulfate at 140 - 160℃;
With trichloroacetic acid
513-85-9

2.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

106-99-0

buta-1,3-diene

C

78-93-3

butanone

Conditions
ConditionsYield
In water at 500℃; Reagent/catalyst;A 12.6%
B 17.6%
C 45.4%
With scandium(III) oxide In water at 700℃; Reagent/catalyst;A 9.7%
B 22%
C 20.3%
With Sc1.5Yb0.5O3; hydrogen at 411℃; for 5h; Flow reactor;
106-98-9

1-butylene

A

124-38-9

carbon dioxide

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With oxygen at 370℃; for 20h;A 5.1%
B 57.3%
With oxygen In water at 420℃; under 760.051 Torr; for 8h; Reagent/catalyst; Flow reactor;
109-99-9

tetrahydrofuran

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere;13%
With fired clay
With aluminum oxide; phosphoric acid; sodium phosphate In water at 250 - 270℃; under 750.075 Torr;31.4 %Chromat.
513-85-9

2.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
In water at 500℃; Reagent/catalyst; Temperature;A 27.3%
B 56%
With Al, La and Zr mixed oxide In water at 500℃; Reagent/catalyst; Temperature; Overall yield = 61.4 %;
With lithium dihydrogenphosphate at 500℃; for 6h; Reagent/catalyst; Inert atmosphere;
513-85-9

2.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

106-99-0

buta-1,3-diene

C

78-84-2

isobutyraldehyde

D

78-93-3

butanone

Conditions
ConditionsYield
at 293 - 365℃;A n/a
B 21%
C n/a
D n/a
With silica-supported phosphorous at 180℃; Inert atmosphere;
With alumina In water at 380℃; Reagent/catalyst; Inert atmosphere; Gas phase;
With Cesium oxide- Silica composite at 400℃; for 6h; Inert atmosphere;
With 1 Na phosphate on silica at 400℃; under 760.051 Torr; for 20h; Reagent/catalyst; Inert atmosphere;
18826-95-4, 107-88-0

1.3-butanediol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With silica-alumina at 300℃; under 750.075 Torr;99.8%
In dichloromethane at 320℃; Reagent/catalyst; Temperature;72%
With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere;33%
75-09-2

dichloromethane

2622-05-1

allylmagnesium bromide

A

3070-53-9

1,6-heptadiene

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 79 %;A 52%
B 27%
With C31H37ClFeN3O2 In tetrahydrofuran at 25℃; for 0.0833333h; Inert atmosphere;
110-63-4

Butane-1,4-diol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With water at 300 - 350℃; Leiten ueber einen aus NaH2PO4, saurem n-Butylaminphosphat, Graphit und Wasser durch Eindampfen und Erhitzen auf 160grad hergestellten Katalysator;
durch stufenweise katalytische Wasserabspaltung ueber Tetrahydrofuran als Zwischenprodukt;
With Yb2O3 at 360℃; Temperature; Flow reactor; Inert atmosphere;
With water at 300 - 350℃; Leiten ueber einen aus NaH2PO4, saurem n-Butylaminphosphat, Graphit und Wasser durch Eindampfen und Erhitzen auf 160grad hergestellten Katalysator;
durch stufenweise katalytische Wasserabspaltung ueber Tetrahydrofuran als Zwischenprodukt;
107-01-7

butene-2

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With oxygen at 320℃; Gas phase;78%
With BDP-142 at 340℃; Reagent/catalyst; Temperature; Concentration;77.5%
With oxygen at 340℃; under 760.051 Torr; Temperature; Flow reactor;71.62%
513-85-9

2.3-butanediol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With scandium aluminium oxide; hydrogen at 318℃; for 5h; Reagent/catalyst; Temperature; Flow reactor;94%
With water; triethylamine; 2,4-dimethylpentan-3-one at 225 - 235℃; Leiten ueber Al+SiO2+W2O5;
With thorium dioxide at 350℃; unter vermindertem Druck, andere Katalysatoren;
18826-95-4, 107-88-0

1.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With silicon carbide In water at 350℃; under 760.051 Torr; for 8h; Inert atmosphere;A 17.5%
B 53.5%
5954-75-6

2-vinylthiirane

A

106-99-0

buta-1,3-diene

B

17547-93-2

3,6-dihydro-[1,2]dithiine

Conditions
ConditionsYield
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 82 % Spectr.
627-27-0

homoalylic alcohol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
at 270 - 290℃; Leiten ueber saure Katalysatoren;
With neodymium(III) orthophosphate at 286℃; Reagent/catalyst; Inert atmosphere;
With 3-buten-1-ol dehydratase Enzymatic reaction;
With Yb2O3 at 340℃; Flow reactor; Inert atmosphere;
106-97-8

n-butane

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
magnesium-molybdenum98%
With water; oxygen at 25 - 550℃; under 1800.18 - 11251.1 Torr;95%
With water; hydrogen; oxygen at 25 - 555℃; under 1800.18 - 15001.5 Torr; Product distribution / selectivity;95%
18826-95-4, 107-88-0

1.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

187737-37-7

propene

C

6117-91-5

(E/Z)-2-buten-1-ol

D

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With silicon carbide In water at 300℃; under 760.051 Torr; for 8h; Inert atmosphere;A 22.5%
B 5.3%
C 15.8%
D 51.7%
18826-95-4, 107-88-0

1.3-butanediol

A

598-32-3

2-hydroxy-3-butene

B

6117-91-5

(E/Z)-2-buten-1-ol

C

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With silicon carbide In water at 300℃; under 760.051 Torr; for 8h; Temperature; Inert atmosphere;A 19.5%
B 12.9%
C 63.6%
64-17-5

ethanol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
sodium oxide; magnesium oxide; silica gel at 350℃; for 0.166667h;87%
sodium oxide; magnesium oxide; silica gel at 350℃; for 0.166667h; Product distribution; other catalysts;87%
With zinc at 350℃; for 1h; Reagent/catalyst; Inert atmosphere;75.2%
74-85-1

ethene

di-n-butyl hexa-2,4-dienedioate

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With tris(N-tert-butyl-3,5-dimethylanilino)molybdenum(III) In toluene at 80℃; under 7500.75 Torr; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;
74-85-1

ethene

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
at 750℃; 0.6-2.0 sec Kontaktzeit;
at 755 - 885℃; 0.2-1.5 sec Kontaktzeit;
at 725℃; under 152 Torr;
71-36-3

butan-1-ol

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
durch unvollstaendige Verbrennung;
Liefert beim Durchleiten durch ein rotgluehendes Quarzrohr;
Bei der unvollstaendigen Verbrennung;
74-85-1

ethene

di-n-butyl hexa-2,4-dienedioate

A

141-32-2

acrylic acid n-butyl ester

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In toluene at 60℃; under 12929 - 15514.9 Torr; for 1.5h; Concentration; Temperature; Time; Pressure; Reagent/catalyst; Inert atmosphere;
74-85-1

ethene

592-46-1

hexa-2,4-diene

A

187737-37-7

propene

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With Grubbs catalyst first generation In toluene at 30℃; under 30003 Torr; Temperature; Pressure; Inert atmosphere;
74-85-1

ethene

170967-96-1

(2Z,4Z)-di-n-butyl hexa-2,4-dienedioate

A

141-32-2

acrylic acid n-butyl ester

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In toluene at 60℃; under 12929 - 15514.9 Torr; for 1.5h; Inert atmosphere;
106-98-9

1-butylene

115-11-7

isobutene

A

78-85-3

2-methylpropenal

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With nitrogen; Mo12Co5.7Fe3.8Bi0.5Ce0.1Tl0.3Sb0.5O49.1; water; oxygen at 380℃; for 10005h; Reagent/catalyst;A 65%
B 89%
74-85-1

ethene

di-n-butyl hexa-2,4-dienedioate

A

141-32-2

acrylic acid n-butyl ester

B

16809-91-9

n-butyl penta-2,4-dienoate

C

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With 1,3-bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene-dichloro(o-isopropoxyphenylmethylene)ruthenium In toluene at 30℃; under 7500.75 Torr; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;
64-17-5

ethanol

A

107-01-7

butene-2

B

106-99-0

buta-1,3-diene

Conditions
ConditionsYield
With indium at 350℃; for 1h; Reagent/catalyst; Inert atmosphere;A n/a
B 65.61%
106-99-0

buta-1,3-diene

821-06-7

(E)-1,4-dibromobutene

Conditions
ConditionsYield
With bromine In chloroform at -78 - 23℃;100%
With bromine In tetrachloromethane at -78 - 20℃; for 16h;58%
With bromine In tetrachloromethane at -78 - 20℃; for 16h;58%
21321-91-5

3-methoxy-19-norpregna-1,3,5(10),16-tetraene-20-one

106-99-0

buta-1,3-diene

101766-58-9

3-methoxy-16α,17α-cyclohex-3',4'-eno-19-norpregna-1,3,5(10)-trien-20-one

Conditions
ConditionsYield
With TEMPO In dichloromethane at 80℃; under 10500800 Torr; for 5h;100%
With aluminum (III) chloride In dichloromethane at 20℃; for 18h; Diels-Alder Cycloaddition;68%
982-06-9

16-methylpregna-5,16-dien-3β-ol-20-one acetate

106-99-0

buta-1,3-diene

146303-84-6

16α,17α-cyclohex-3'-eno-16-methylpregn-5-en-3β-ol-20-one acetate

Conditions
ConditionsYield
aluminium trichloride In dichloromethane at 40℃; under 10500800 Torr; for 5h;100%
With aluminium trichloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at 40℃; under 11250900 Torr; for 5h;95%
122605-80-5

16α,17α-cyclohexane-5α-pregn-1-ene-3,20-dione

106-99-0

buta-1,3-diene

122605-81-6

1α,2α-cyclohex-3'-eno-16α,17α-cyclohexano-5α-pregnane-3,20-dione

Conditions
ConditionsYield
aluminium trichloride In dichloromethane at 40℃; under 10500800 Torr; for 5h;100%
With aluminium trichloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at 40℃; under 11250900 Torr; for 5h;93%
824-79-3

sodium 4-methylbenzenesulfinate

106-99-0

buta-1,3-diene

115147-52-9

(E)-1-iodo-4-tosyl-2-butene

Conditions
ConditionsYield
With iodine In water; ethyl acetate at 20℃; for 3h; iodosulfonization;100%
With iodine In dichloromethane for 6h; Ambient temperature;93%
103215-11-8

16,19-Dioxo-2,5,8,11,14-pentaoxabicyclo[13.4.0]-115,1718-nonadecadien

106-99-0

buta-1,3-diene

117357-98-9

2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.017,22]tricosa-1(15),19-diene-16,23-dione

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at 0℃; for 2.5h;100%
103215-12-9

19,22-Dioxo-2,5,8,11,14,17-hexaoxabicyclo<16.4.0>-118,2021-docosadien

106-99-0

buta-1,3-diene

117357-99-0

2,5,8,11,14,17-Hexaoxa-tricyclo[16.8.0.020,25]hexacosa-1(18),22-diene-19,26-dione

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane for 2.5h;100%
111508-33-9

benzyl ethyl diazene-1,2-dicarboxylate

106-99-0

buta-1,3-diene

111508-34-0

benzyl ethyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate

Conditions
ConditionsYield
In benzene for 24h;100%
In benzene at -10 - 20℃; for 18h;
74856-76-1

5-acetoxy-1,4-anthraquinone

106-99-0

buta-1,3-diene

Acetic acid 6,11-dioxo-6,6a,7,10,10a,11-hexahydro-naphthacen-1-yl ester

Conditions
ConditionsYield
In benzene at 100℃;100%
106-99-0

buta-1,3-diene

88-27-7

N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine

94817-72-8

2,4-di-tert-butylspiro<5.5>undeca-1,4,7-trien-3-one

Conditions
ConditionsYield
In ethyl acetate100%
With methyl iodide 1.) ethyl acetate, 2.) 100 - 120 deg C, 18 h; Yield given. Multistep reaction;
52095-13-3

2-acetyl-3-chloro-1,4-benzoquinone

106-99-0

buta-1,3-diene

180508-64-9

2-acetil-3-cloro-4a,5,8,8a-tetrahidro-1,4-naftoquinona

Conditions
ConditionsYield
With hydroquinone In benzene for 8h; Heating;100%
106-99-0

buta-1,3-diene

polybutadiene

polybutadiene

Conditions
ConditionsYield
With triisobutylaluminum; C48H58NOP2Si2Y; trityl tetrakis(pentafluorophenyl)borate In toluene at 25℃; for 0.166667h; Product distribution / selectivity;100%
C48H58NOP2Si2Y; trityl tetrakis(pentafluorophenyl)borate In toluene at 25℃; for 0.166667h; Product distribution / selectivity;100%
With triisobutylaluminum; C48H58NOP2Si2Y; trityl tetrakis(pentafluorophenyl)borate In toluene at 25℃; for 0.166667h; Product distribution / selectivity;100%
106-99-0

buta-1,3-diene

poly(1,3-butadiene), Mn = 50000 g/mol, Mw/Mn = 2.6, cis:trans:1,2-units ratio = 90:8:2

poly(1,3-butadiene), Mn = 50000 g/mol, Mw/Mn = 2.6, cis:trans:1,2-units ratio = 90:8:2

Conditions
ConditionsYield
With [Y{(μ-Me2)2(AlMe2)}3]; triisobutylaluminum; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 25℃; for 14h;100%
106-99-0

buta-1,3-diene

poly(1,3-butadiene), Mn = 100000 g/mol, Mw/Mn = 2.1, cis:trans:1,2-units ratio = 97:2:1

poly(1,3-butadiene), Mn = 100000 g/mol, Mw/Mn = 2.1, cis:trans:1,2-units ratio = 97:2:1

Conditions
ConditionsYield
With [Y{(μ-Me2)2(AlMe2)}3]; triisobutylaluminum; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 25℃; for 14h;100%
106-99-0

buta-1,3-diene

polybutadiene, 99% of Z-1,4-double bonds, Mn 117000, Mw/Mn 1.07 by GPC; monomer(s): 1,3-butadiene

polybutadiene, 99% of Z-1,4-double bonds, Mn 117000, Mw/Mn 1.07 by GPC; monomer(s): 1,3-butadiene

Conditions
ConditionsYield
With triisobutylaluminum; trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In toluene at -10 - 25℃;100%
106-99-0

buta-1,3-diene

78-79-5

isoprene

poly(isoprene-block-butadiene), with 33 mol% polyisoprene and 67 mol% polybutadiene, > 99% of Z-1,4-double bonds in polyisoprene and 99% of Z-1,4-double bonds in polybutadiene, Mn 160000, Mw/Mn 1.13 by GPC; monomer(s): 1,3-butadiene; isoprene

poly(isoprene-block-butadiene), with 33 mol% polyisoprene and 67 mol% polybutadiene, > 99% of Z-1,4-double bonds in polyisoprene and 99% of Z-1,4-double bonds in polybutadiene, Mn 160000, Mw/Mn 1.13 by GPC; monomer(s): 1,3-butadiene; isoprene

Conditions
ConditionsYield
Stage #1: buta-1,3-diene With triisobutylaluminum; trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In toluene at -10 - 25℃;
Stage #2: isoprene In toluene at 20℃; for 0.333333h; Further stages.;
100%
1605-72-7

dichlorocarbene

106-99-0

buta-1,3-diene

694-33-7

1,1-dichloro-2-vinyl-cyclopropane

Conditions
ConditionsYield
100%

ytterbium

106-99-0

buta-1,3-diene

C4H6Yb

Conditions
ConditionsYield
With C2H4I2 In 1,2-dimethoxyethane activation of Yb with C2H4I2 soln.(2h,room temp.) , flask cooled to -20°C and charged with 1,3-butadiene, after 2h reaction time the flask was warmed to room temp. and the mixt. stirred overnight ; suspension; not isolated , GC anal.;100%
106-99-0

buta-1,3-diene

palladium dichloride

bis(μ-chloro)bis{(1,2,3,-η)-4-acetoxy-2-butenyl}dipalladium

Conditions
ConditionsYield
With acetic acid; copper dichloride In acetic acid100%
1185-61-1

tetravinylgermane

106-99-0

buta-1,3-diene

81353-47-1

3-cyclohexenyltrivinylgermane

Conditions
ConditionsYield
With aluminium trichloride 5 h at 170 °C;;100%
1346646-51-2, 86765-89-1

trans-bis{1,2-bis(dimethylphosphino)ethane}bis(dinitrogen)chromium(0)

106-99-0

buta-1,3-diene

97349-39-8

bis{1,2-bis(dimethylphosphino)ethane}(η4-buta-1,3-diene)chromium(0)

Conditions
ConditionsYield
In hexane under inert atmosphere; soln. of Cr complex in hexane was pressurised with C4H6 (5 atm) and warmed slowly with vigorous stirring to 75 °C; filtered, concd., pptd. by cooling to -20 °C;100%

[Pd2(acetonitrile)4(P(C6H5)3)2](PF6)2

106-99-0

buta-1,3-diene

[Pd2(μ-η(2):η(2)-s-trans-1,3-butadiene)2(P(C6H5)3)2](PF6)2

Conditions
ConditionsYield
In dichloromethane100%

Grubbs catalyst first generation

106-99-0

buta-1,3-diene

RuCl2(=CH-CH=CH2)(PCy3)2

Conditions
ConditionsYield
In dichloromethane byproducts: PhCH=CH2;100%
In dichloromethane byproducts: PhCH=CH2; (Ar); -20°C, warming to room temp.; solvent removal (vac.), washing (acetone or pentane), drying (vac.) elem. anal.;95%
106-99-0

buta-1,3-diene

poly(1,3-butadiene-co-styrene)

poly(1,3-butadiene-co-styrene)

Conditions
ConditionsYield
(2-Me-indenyl)2Sc(N(SiMe3)2); triisobutylaluminum; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 20℃; for 0.5h; Product distribution / selectivity;100%
(2-Me-indenyl)2Sc(N(SiMe3)2); triisobutylaluminum; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 20℃; for 0.5h; Product distribution / selectivity;80%
With triisobutylaluminum; methylaluminoxane; [((η5-C5Me5)TiCl2)3(tris(4-hydroxy-3,5-diisopropyl)amine(-3H))] In toluene at 25℃; for 2h; Product distribution / selectivity;

C12H13NO3

106-99-0

buta-1,3-diene

C16H19NO3

Conditions
ConditionsYield
With hydroquinone In toluene at 155℃; for 46h; Diels-Alder reaction; Inert atmosphere;100%

ethyl 4-oxo-4-(pyridin-2-yl)but-2-enoate

106-99-0

buta-1,3-diene

ethyl 6-(picolinoyl)cyclohex-3-en-1-carboxylate

Conditions
ConditionsYield
With hydroquinone In toluene at 155℃; for 24h; Diels-Alder reaction; Inert atmosphere;100%

1,3-Butadiene History

In 1863, a French chemist isolated a previously unknown hydrocarbon from the pyrolysis of amyl alcohol. This hydrocarbon was identified as butadiene in 1886, after Henry Edward Armstrong isolated it from among the pyrolysis products of petroleum.
In 1910, the Russian chemist Sergei Lebedev polymerized butadiene(106-99-0), and obtained a material with rubber-like properties. This polymer was, however, too soft to replace natural rubber in many roles, especially automobile tires.
The butadiene(106-99-0) industry originated in the years leading up to World War II. Many of the belligerent nations realized that in the event of war, they could be cut off from rubber plantations controlled by the British Empire, and sought to remove their dependence on natural rubber. In 1929, Eduard Tschunker and Walter Bock, working for IG Farben in Germany, made a copolymer of styrene and butadiene(106-99-0) that could be used in automobile tires. Worldwide production quickly ensued, with butadiene being produced from grain alcohol in the Soviet Union and the United States and from coal-derived acetylene in Germany.

1,3-Butadiene Consensus Reports

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

1,3-Butadiene Standards and Recommendations

DOT Classification:  2.1; Label: Flammable Gas
OSHA PEL: TWA 1 ppm; STEL 5 ppm
ACGIH TLV: TWA 2 ppm; Suspected Human Carcinogen
DFG MAK: Confirmed Human Carcinogen
NIOSH REL: Reduce to lowest feasible level

1,3-Butadiene Analytical Methods

For occupational chemical analysis use OSHA: #ID-56 or NIOSH: 1,3-Butadiene, 1024.

1,3-Butadiene Specification

1,3-Butadiene is a colorless gas with an aromatic odor has an isomer 1,2-butadiene. They also can called butadiene. But most of the time this name refers to 1,3-butadiene. This chemical is easily liquefied, flammable and aggregate. 1,3-Butadiene is the important momer in the manufacture of synthetic rubber and synthetic resin.

Preparation: 1. From ethanol: Use ethanol as raw material, magnesium oxide and silica as main catalysts. Then add active additive at the 360 ~ 370 °C. Finally, after the catalytic dehydrogenation and dehydration, the 1,3-Butadiene is obtained.
2 CH3CH2OH → CH2=CH-CH=CH2 + 2 H2O + H2

2. Extraction from C4 hydrocarbons: The by-product C4 cut fraction can be obtained by ethylene splitting decomposition. Use solvent extraction to extract 1,3-butadiene. According to the different solvents, this method can be divided into acetonitrile extraction and N, N-dimethylformamide extraction.

3. 1,3-Butadiene also can be largely produced from oil gas that is obtained by the catalytic dehydrogenation from butene or butene-butane mixture. Besides, it can also be directly obtained by cracking naphtha and light oil.

Uses: In terms of synthetic rubber, 1,3-butadiene is used in the production of butadiene styrene rubber and butadiene rubber, ethylene-propylene rubber, nitrile rubber, neoprene, SBR, etc.; in synthetic resin, it is used in the production of ABS, BS, SBS, MBS, epoxidation polybutadiene resins, liquid butadiene oligomer, etc.; in organic chemical production, it is used to synthesize sulfolane, 1,4-butanediol, adiponitrile, synthetic anthraquinone, 1,4-hexadiene , cyclooctadiene, cyclododecatriene, etc. 1,3-Butadiene is also used as raw material to make plasticizers, curing agents and flame retardants and so on.

Safty: 1,3-Butadiene may cause cancer, heritable genetic damage, lung damage if swallowed and skin dryness or cracking. Moreover, it is irritating to eyes and skin and has danger of serious damage to health by prolonged exposure through inhalation. This chemical is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Damage to the central nervous system will start to occur at acute high exposure. If you want to contact this product, you must wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Structure Descriptors:
1.Smiles:C(C=C)=C
2.InChI:InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2

Toxicity:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 2000ppm/7H (2000ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
human TCLo inhalation 8000ppm (8000ppm) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: COUGH
Industrial Medicine. Vol. 17, Pg. 199, 1948.
mouse LC50 inhalation 270gm/m3/2H (270000mg/m3)   Archives of Environmental Health. Vol. 18, Pg. 878, 1969.
mouse LD50 oral 3210mg/kg (3210mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-288, Pg. 1984,
rabbit LCLo inhalation 25pph/23M (250000ppm) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
rat LC50 inhalation 285gm/m3/4H (285000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968.
rat LD50 oral 5480mg/kg (5480mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 14, 1986.

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