Isoprene supplier | CasNO.78-79-5

Name
Isoprene
EINECS 201-143-3
CAS No. 78-79-5
Article Data431
CAS DataBase
Density 0.674 g/cm³
Solubility Insoluble in water, but soluble in benzene, easily soluble in ethanol, ethyl ether, acetone
Melting Point 323-329 °C(lit.)
Formula C₅H₈
Boiling Point 34.059 °C at 760 mmHg
Molecular Weight 68.1185
Flash Point -40.843 °C
Transport Information UN 1218 3/PG 1
Appearance colourless liquid with an aromatic odour
Safety 53-45-61
Risk Codes 45-12-52/53-68
Molecular Structure
Hazard Symbols F+,T
Synonyms Isoprene(8CI);2-Methyl-1,3-butadiene;2-Methylbutadiene;Isopentadiene;NSC 9237;b-Methylbivinyl;1,3-Butadiene,2-methyl-;
PSA 0.00000
LogP 1.74850

Synthetic route

: 766-15-4
4,4-dimethyl-1,3-dioxane

: 78-79-5
isoprene

Conditions

Conditions	Yield
With supported heteropolyacid In tert-butyl alcohol at 160℃; under 71257.1 Torr; Pressure; Temperature;	98.6%
With water at 250℃; ueber einen phosphorsaeurehaltigen Katalysator;unter Zusatz von Heptandampf;
With water unter Zusatz von Heptandampf;

: 556-82-1
3-methyl-2-buten-1-ol

: 78-79-5
isoprene

Conditions

Conditions	Yield
With zeolite H-ZSM-5 In benzene at 90℃; for 10h;	98%
With graphite oxide; zeolite In chloroform-d1 at 150℃; for 0.5h; Sealed tube;

: 91495-68-0
3-benzyloxy-2-methyl-1-butene

: 78-79-5
isoprene

Conditions

Conditions	Yield
at 750℃; under 0.01 Torr; deprotection;	96%

: 111-36-4
n-butyl isocyanide

: 15450-84-7
1,3-dimethyl-2,5-dihydro-1H-phosphole

A: 1173091-18-3
1,4-dibutyl-2-methyl-1,4,2-diazaphospholidin-3,5-dione

B: 78-79-5
isoprene

Conditions

Conditions	Yield
at 20℃; for 16h;	A 94% B n/a

...Expand

: 78-80-8
2-methyl-1-buten-3-yne

: 78-79-5
isoprene

Conditions

Conditions	Yield
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h;	92%
With ethanol; iron catalyst at 100℃; under 51485.6 Torr; Hydrogenation;
With zinc copper; water at 100℃; under 51485.6 Torr; Hydrogenation;

: 3,4-epithia-3-methyl-1-butene

A: 18655-86-2
3,6-dihydro-4-methyl-1,2-dithiin

B: 78-79-5
isoprene

Conditions

Conditions	Yield
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 at 25℃; for 72h;	A 85% B n/a
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 for 72h; Ambient temperature;	A 85 % Spectr. B n/a

: 587834-60-4
5-chloro-4-(3-methyl-2-butenyloxy)-2-methylthiopyrimidine

A: 38275-42-2
2-methylthio-5-chloropyrimidine

B: 78-79-5
isoprene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In toluene for 0.8h; Carroll reaction; Electrochemical reaction;	A 85% B n/a

: 3,4-epithia-2-methyl-1-butene

A: 18655-86-2
3,6-dihydro-4-methyl-1,2-dithiin

B: 78-79-5
isoprene

Conditions

Conditions	Yield
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 at 25℃; for 24h;	A 84% B n/a
With pentacarbonyl(acetonitrile)tungsten In dichloromethane-d2 for 24h; Ambient temperature;	A 84 % Spectr. B n/a

: 753488-56-1
6-O-allyl-1,2-O-isopropylidene-3-O-methallyl-5-O-prenyl-α-D-glucofuranose

A: 78-79-5
isoprene

B: 753488-58-3
6-O-allyl-1,2-O-isopropylidene-3-O-methallyl-α-D-glucofuranose

Conditions

Conditions	Yield
With (PhSO2)2 In dichloromethane-d2; toluene at 80℃; for 28h;	A n/a B 82%

: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

: 78-79-5
isoprene

Conditions

Conditions	Yield
With Na-BPO4/ZrP at 350 - 600℃; Temperature; Reagent/catalyst;	78%
With boron(III) phosphate at 51.85℃; Product distribution; Further Variations:; Reagents; Temperatures; Reaction partners; time; Dehydration;

: 867039-46-1
(E)-5-[N-(3-methylbut-2-enyl)-N-(toluene-4-sulfonyl)amino]pent-2-enoic acid methyl ester

A: (E)-5-(toluene-4-sulfonylamino)pent-2-enoic acid methyl ester

B: 78-79-5
isoprene

Conditions

Conditions	Yield
iron(III) chloride In dichloromethane at 20℃; for 7h;	A 78% B n/a

: 50-00-0
formaldehyd

: 75-65-0
tert-butyl alcohol

: 78-79-5
isoprene

Conditions

Conditions	Yield
With phosphoric acid; oxalic acid; copper(II) sulfate In water under 9000.9 Torr; Reagent/catalyst; Pressure; Heating; Inert atmosphere;	74.21%

: 53750-52-0
4-iodo-2-methyl-but-1-ene

: 42599-17-7
(E)-1-iodo-1-octene

A: 111-66-0
oct-1-ene

B: (E)-2-Methyl-dodeca-1,5-diene

C: 78-79-5
isoprene

Conditions

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran; pentane 1) -78 deg C, 5 h; 2) 23 deg C, 18 h;	A 74% B 8% C 37%

...Expand

: 50-00-0
formaldehyd

: 115-11-7
isobutene

: 78-79-5
isoprene

Conditions

Conditions	Yield
In water at 300℃; under 760.051 Torr; Catalytic behavior; Reagent/catalyst; Flow reactor;	73.7%
In water at 350℃; under 760.051 Torr; Catalytic behavior; Reagent/catalyst; Pressure; Temperature; Inert atmosphere;	70%
With ammonium molybdate tetrahydrate and phosphoric acid supported on silica In water at 300℃; Reagent/catalyst;	44.76%

: 115-18-4
2-methyl-3-buten-2-ol

A: 66213-80-7
3-Fluoro-3-methyl-but-1-ene

B: 78-79-5
isoprene

Conditions

Conditions	Yield
With 1-fluoro-2-methyl-N,N-diisopropyl-propenylamine In chloroform at 20℃;	A 71% B 16%

: 50-00-0
formaldehyd

: 115-11-7
isobutene

: 75-65-0
tert-butyl alcohol

: 78-79-5
isoprene

Conditions

Conditions	Yield
With phosphoric acid; water at 175 - 178℃; under 11401.1 Torr; for 24 - 32h; Product distribution / selectivity; Industry scale;	67.1%

...Expand

: 80352-66-5
4-mesyloxy-2-methylbutene

A: 75-75-2
methanesulfonic acid

B: 78-79-5
isoprene

Conditions

Conditions	Yield
at 310℃; under 115 Torr; for 0.133333h; Rate constant; Thermodynamic data; var. of initial pressure, temp., Ea, with addition of propene, toluene;	A n/a B 62.3%

: 3907-06-0
3,3-Dimethylcyclopropen

A: 598-23-2
3-methyl-but-1-yne

B: 78-79-5
isoprene

Conditions

Conditions	Yield
at 555.9℃; Product distribution; isomerization at various degrees of compression;	A 59% B 17%
at 204.6℃; under 21 Torr; for 2h; Kinetics; Product distribution; Thermodynamic data; Ea; further times; further temperatures;

: 50-00-0
formaldehyd

: 115-11-7
isobutene

A: 16302-35-5
4-methyl-3,6-dihydro-2H-pyran

B: 2270-61-3
4-methyl-3,4-dihydro-2H-pyran

C: 2568-33-4
3-methyl-butane-1,3-diol

D: 96-39-9
methylcyclopentadiene

E: 219811-94-6
3,4,4-trimethylcyclohexene

F: 590-86-3
isovaleraldehyde

G: 78-79-5
isoprene

Conditions

Conditions	Yield
With niobium phosphate at 299.84℃; for 3.33333h; Temperature;	A n/a B n/a C n/a D n/a E n/a F n/a G 57%

...Expand

: 50904-09-1
2-<(-3-methyl-2-butenyl)oxy>tropone

A: 50904-13-7
3-(1,1-dimethyl-2-propenyl)tropolone

B: 78-79-5
isoprene

Conditions

Conditions	Yield
at 140℃; for 2h; pyrolysis;	A 50% B 10 % Chromat.
With pyrolysis at 140℃; for 2h; Mechanism; other alkenyloxytropones;	A 50% B 10 % Chromat.

: 1605-72-7
dichlorocarbene

: 78-79-5
isoprene

: 5296-49-1
1-vinyl-1-methyl-2,2-dichlorocyclopropane

Conditions

Conditions	Yield
	100%

: 421-59-0
trifluoromethyldiiodophosphine

: 78-79-5
isoprene

: 128538-08-9
4-Methyl-1,2-bis-trifluoromethyl-1,2,3,6-tetrahydro-[1,2]diphosphinine

Conditions

Conditions	Yield
With tin(ll) chloride In tetrahydrofuran	100%

: 4233-33-4
4-Phenyl-1,2,4-triazolidine-3,5-dione

: 78-79-5
isoprene

: 10316-49-1
3-methyl-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-ene-7,9-dione

Conditions

Conditions	Yield
In dichloromethane at -10℃;	100%

: 38727-98-9
1,6-bis(3,5-dioxo-1,2,4-triazoline4-yl)hexane

: 78-79-5
isoprene

: C20H28N6O4

Conditions

Conditions	Yield
In dichloromethane at -10℃;	100%

: 78-79-5
isoprene

polyisoprene: polyisoprene

Conditions

Conditions	Yield
C48H58NOP2Si2Y; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In chlorobenzene at 50℃; for 0.166667h; Product distribution / selectivity;	100%
C48H58NOP2Si2Y; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In chlorobenzene at 20℃; for 0.333333h; Product distribution / selectivity;	100%
C48H58NOP2Si2Y; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In chlorobenzene at 20℃; for 1h; Product distribution / selectivity;	100%

: 292638-84-7
styrene

: 78-79-5
isoprene

polymer, Mn 2.153E4, Mw/Mn 1.4; monomer(s): isoprene, content 72 percent; styrene: polymer, Mn 2.153E4, Mw/Mn 1.4; monomer(s): isoprene, content 72 percent; styrene

Conditions

Conditions	Yield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;	100%

: 292638-84-7
styrene

: 78-79-5
isoprene

polymer, Mn 2.157E4, Mw/Mn 1.6; monomer(s): isoprene, content 52 percent; styrene: polymer, Mn 2.157E4, Mw/Mn 1.6; monomer(s): isoprene, content 52 percent; styrene

Conditions

Conditions	Yield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;	100%

: 292638-84-7
styrene

: 78-79-5
isoprene

polymer, Mn 3.814E4, Mw/Mn 1.5; monomer(s): isoprene, content 44 percent; styrene: polymer, Mn 3.814E4, Mw/Mn 1.5; monomer(s): isoprene, content 44 percent; styrene

Conditions

Conditions	Yield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;	100%

: 292638-84-7
styrene

: 78-79-5
isoprene

polymer, Mn 5.38E4, Mw/Mn 1.2; monomer(s): isoprene, content 20 percent; styrene: polymer, Mn 5.38E4, Mw/Mn 1.2; monomer(s): isoprene, content 20 percent; styrene

Conditions

Conditions	Yield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;	100%

: 78-79-5
isoprene

polyisoprene, Mw 112700, Mn 65300 by GPC; monomer(s): isoprene: polyisoprene, Mw 112700, Mn 65300 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With gadolinium metallocene-based catalyst; triisobutylaluminum; trityl tetrakis(pentafluorophenyl)borate In toluene at 20℃; for 1h;	100%

poly(methyl methacrylate), with 3,97 3-(bromomethyl)phenyl end groups, Mn 1.24E4 Da by SEC, Mn 1.32E4 by osmometry, Mn 1.36E4 Da by NMR, Mw/Mn 1.03; monomer(s): methyl methacrylate; 1,1-bis[3-(tert-butyldimethylsilyloxymethyl)phenyl]ethylene: poly(methyl methacrylate), with 3,97 3-(bromomethyl)phenyl end groups, Mn 1.24E4 Da by SEC, Mn 1.32E4 by osmometry, Mn 1.36E4 Da by NMR, Mw/Mn 1.03; monomer(s): methyl methacrylate; 1,1-bis[3-(tert-butyldimethylsilyloxymethyl)phenyl]ethylene

: 78-79-5
isoprene

poly[(methyl methacrylate)-b-isoprene], asymmetric star-branched, 5-arm, Mn 5.98E4 Da, Mw 5.61E4 Da, Mw/Mn 1.02; monomer(s): methyl methacrylate; 1,1-bis[3-(tert-butyldimethylsilyloxymethyl)phenyl]ethylene; isoprene: poly[(methyl methacrylate)-b-isoprene], asymmetric star-branched, 5-arm, Mn 5.98E4 Da, Mw 5.61E4 Da, Mw/Mn 1.02; monomer(s): methyl methacrylate; 1,1-bis[3-(tert-butyldimethylsilyloxymethyl)phenyl]ethylene; isoprene

Conditions

Conditions	Yield
Stage #1: isoprene Stage #2: poly(methyl methacrylate), with 3,97 3-(bromomethyl)phenyl end groups, Mn 1.24E4 Da by SEC, Mn 1.32E4 by osmometry, Mn 1.36E4 Da by NMR, Mw/Mn 1.03; monomer(s): methyl methacrylate; 1,1-bis[3-(tert-butyldimethylsilyloxymethyl)phenyl]ethylene In tetrahydrofuran at -78℃; for 1h;	100%

: 78-79-5
isoprene

3,4-polyisoprene, Mn = 1.2E5, Mw/Mn = 1.3; monomer(s): isoprene: 3,4-polyisoprene, Mn = 1.2E5, Mw/Mn = 1.3; monomer(s): isoprene

Conditions

Conditions	Yield
With [Me2Si(C5Me4)(μ-PC6H11)Y(CH2SiMe3)]2; trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 25℃; for 2h;	100%

: 78-79-5
isoprene

polyisoprene, Mn = 0.9E5, Mw/Mn = 1.06, 66 percent 3,4-unit, 34 percent 1,4-unit; monomer(s): isoprene: polyisoprene, Mn = 0.9E5, Mw/Mn = 1.06, 66 percent 3,4-unit, 34 percent 1,4-unit; monomer(s): isoprene

Conditions

Conditions	Yield
With (η5-C5Me4(SiMe3))′Y(CH2SiMe3)2(thf); trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 25℃; for 2h;	100%

: 78-79-5
isoprene

3,4-polyisoprene, Mn = 0.6E5, Mw/Mn = 1.3; monomer(s): isoprene: 3,4-polyisoprene, Mn = 0.6E5, Mw/Mn = 1.3; monomer(s): isoprene

Conditions

Conditions	Yield
With [Me2Si(C5Me4)(μ-PC6H11)Y(CH2SiMe3)]2; trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 20℃; for 2h;	100%

: 78-79-5
isoprene

polyisoprene, Mn 13400 Da, PDI 1.54, 97.2 percent trans-1,4-bonds, 1.4 percent cis-1,4-bonds, 1.4 percent 3,4-bonds; monomer(s): isoprene: polyisoprene, Mn 13400 Da, PDI 1.54, 97.2 percent trans-1,4-bonds, 1.4 percent cis-1,4-bonds, 1.4 percent 3,4-bonds; monomer(s): isoprene

Conditions

Conditions	Yield
With (C5Me4nPr)Nd(BH4)2(THF)2; dibutylmagnesium In n-heptane; toluene at 50℃; for 20h;	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

Conditions	Yield
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%

: 78-79-5
isoprene

polyisoprene, 99.6:0.4 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.3E5, Mw/Mn 1.06 by GPC; monomer(s): isoprene: polyisoprene, 99.6:0.4 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.3E5, Mw/Mn 1.06 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 0℃; for 3h;	100%

: 78-79-5
isoprene

polyisoprene, 98.5:1.5 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 8E4, Mw/Mn 1.05 by GPC; monomer(s): isoprene: polyisoprene, 98.5:1.5 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 8E4, Mw/Mn 1.05 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 80℃; for 0.0833333h;	100%

: 78-79-5
isoprene

polyisoprene, 96.5:3.5 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.6E5, Mw/Mn 1.10 by GPC; monomer(s): isoprene: polyisoprene, 96.5:3.5 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.6E5, Mw/Mn 1.10 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based scandium complex In chlorobenzene at 20℃; for 1h;	100%

: 78-79-5
isoprene

polyisoprene, 99.3:0.7 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 2.3E5, Mw/Mn 1.10 by GPC; monomer(s): isoprene: polyisoprene, 99.3:0.7 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 2.3E5, Mw/Mn 1.10 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 20℃; for 1h;	100%

: 78-79-5
isoprene

polyisoprene, 97.1:2.9 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.9E5, Mw/Mn 1.09 by GPC; monomer(s): isoprene: polyisoprene, 97.1:2.9 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.9E5, Mw/Mn 1.09 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based lutetium complex In chlorobenzene at 20℃; for 1h;	100%

: 78-79-5
isoprene

polyisoprene, 99.3:0.7 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.2E5, Mw/Mn 1.07 by GPC; monomer(s): isoprene: polyisoprene, 99.3:0.7 ratio of Z-1,4- to 3,4-double bonds respectively, Mn 1.2E5, Mw/Mn 1.07 by GPC; monomer(s): isoprene

Conditions

Conditions	Yield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 20℃; for 0.333333h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 113E3 g/mol, Mw = 329E3 g/mol, PDI = 2.92; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 113E3 g/mol, Mw = 329E3 g/mol, PDI = 2.92; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 117E3 g/mol, Mw = 326E3 g/mol, PDI = 2.78; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 117E3 g/mol, Mw = 326E3 g/mol, PDI = 2.78; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 149E3 g/mol, Mw = 532E3 g/mol, PDI = 3.59; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 149E3 g/mol, Mw = 532E3 g/mol, PDI = 3.59; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 152E3 g/mol, Mw = 469E3 g/mol, PDI = 3.08; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 152E3 g/mol, Mw = 469E3 g/mol, PDI = 3.08; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 158E3 g/mol, Mw = 650E3 g/mol, PDI = 4.11; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 158E3 g/mol, Mw = 650E3 g/mol, PDI = 4.11; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 160E3 g/mol, Mw = 386E3 g/mol, PDI = 2.41; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 160E3 g/mol, Mw = 386E3 g/mol, PDI = 2.41; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 223E3 g/mol, Mw = 453E3 g/mol, PDI = 2.03; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 223E3 g/mol, Mw = 453E3 g/mol, PDI = 2.03; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

: 78-79-5
isoprene

cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 228E3 g/mol, Mw = 788E3 g/mol, PDI = 3.45; monomer(s): isoprene: cis-1,4-polyisoprene, cis stereospecificity >98%, Mn = 228E3 g/mol, Mw = 788E3 g/mol, PDI = 3.45; monomer(s): isoprene

Conditions

Conditions	Yield
diethylaluminium chloride In hexane at 40℃; for 24h;	100%

Isoprene Specification

Isoprene is an organic compound with the formula C₅H₈, and its systematic name is the same with the product name. With the CAS registry number 78-79-5, it is also named as 2-Methyl-1,3-butadiene. Its EINECS number is 201-143-3. In addition, the molecular weight is 68.12. Its classification codes are: (1)Mutation data; (2)Tumor data. This product should be sealed and stored in a cool place. Moreover, it should be protected from light, heat and fire. It is highly volatile because of its low boiling point. It is the most abundant hydrocarbon measurable in the breath of humans. This compound was first isolated by thermal decomposition of natural rubber. It is most readily available industrially as a byproduct of the thermal cracking of naphtha or oil, as a side product in the production of ethylene. This chemical is used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers.

Physical properties of Isoprene are: (1)ACD/LogP: 2.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.78; (6)ACD/BCF (pH 7.4): 35.78; (7)ACD/KOC (pH 5.5): 450.51; (8)ACD/KOC (pH 7.4): 450.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.4; (13)Molar Refractivity: 24.507 cm³; (14)Molar Volume: 101.058 cm³; (15)Polarizability: 9.715×10^-24cm³; (16)Surface Tension: 17.02 dyne/cm; (17)Density: 0.674 g/cm³; (18)Flash Point: -40.843 °C; (19)Enthalpy of Vaporization: 26.765 kJ/mol; (20)Boiling Point: 34.059 °C at 760 mmHg; (21)Vapour Pressure: 548.96 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-but-3-en-2-ol at the temperature of 20 °C. This reaction will need reagent N,N-diisopropyl-1-fluoro-2-methylpropenamine and solvent CHCl₃. The yield is about 71%.

Isoprene can be prepared by 2-methyl-but-3-en-2-ol at the temperature of 20 °C

Uses of Isoprene: it can be used to produce 4-methyl-cyclohex-3-enecarbaldehyde at the ambient temperature. It will need reagent methylrhenium trioxide and solvent H₂O with the reaction time of 2.5 hours. The yield is about 91%.

Isoprene can be used to produce 4-methyl-cyclohex-3-enecarbaldehyde at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable. It may cause cancer and has a possible risk of irreversible effects. This compound is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible). It should be avoided exposure, and you need to obtain special instructions before use. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C=C
(2)Std. InChI: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
(3)Std. InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	139gm/m³/2H (139000mg/m³)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(1), Pg. 36, 1965.
rat	LC50	inhalation	180gm/m³/4H (180000mg/m³)	BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968.

Product Name

Isoprene

Synthetic route

Isoprene Specification

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