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78-79-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 78-79-5 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 7 and 8 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 78-79:
(4*7)+(3*8)+(2*7)+(1*9)=75
75 % 10 = 5
So 78-79-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

78-79-5 Well-known Company Product Price

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  • TCI America

  • (I0160)  Isoprene (stabilized with TBC)  >99.0%(GC)

  • 78-79-5

  • 25mL

  • 145.00CNY

  • Detail
  • TCI America

  • (I0160)  Isoprene (stabilized with TBC)  >99.0%(GC)

  • 78-79-5

  • 500mL

  • 475.00CNY

  • Detail
  • Alfa Aesar

  • (L14619)  Isoprene, 99%, stab. with ca 0.02% 4-tert-butylcatechol   

  • 78-79-5

  • 100ml

  • 219.0CNY

  • Detail
  • Alfa Aesar

  • (L14619)  Isoprene, 99%, stab. with ca 0.02% 4-tert-butylcatechol   

  • 78-79-5

  • 500ml

  • 371.0CNY

  • Detail
  • Sigma-Aldrich

  • (59240)  Isoprene  analytical standard

  • 78-79-5

  • 59240-1ML-F

  • 410.67CNY

  • Detail
  • Sigma-Aldrich

  • (59240)  Isoprene  analytical standard

  • 78-79-5

  • 59240-10ML-F

  • 2,574.00CNY

  • Detail

78-79-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name isoprene

1.2 Other means of identification

Product number -
Other names 2-methyl-buta-1,3-diene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:78-79-5 SDS

78-79-5Synthetic route

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

4,4-dimethyl-1,3-dioxane

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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;
3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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;
3-benzyloxy-2-methyl-1-butene
91495-68-0

3-benzyloxy-2-methyl-1-butene

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
at 750℃; under 0.01 Torr; deprotection;96%
n-butyl isocyanide
111-36-4

n-butyl isocyanide

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

1,3-dimethyl-2,5-dihydro-1H-phosphole

A

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

1,4-dibutyl-2-methyl-1,4,2-diazaphospholidin-3,5-dione

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
at 20℃; for 16h;A 94%
B n/a
2-methyl-1-buten-3-yne
78-80-8

2-methyl-1-buten-3-yne

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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

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

A

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

3,6-dihydro-4-methyl-1,2-dithiin

B

isoprene
78-79-5

isoprene

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

5-chloro-4-(3-methyl-2-butenyloxy)-2-methylthiopyrimidine

A

2-methylthio-5-chloropyrimidine
38275-42-2

2-methylthio-5-chloropyrimidine

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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

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

A

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

3,6-dihydro-4-methyl-1,2-dithiin

B

isoprene
78-79-5

isoprene

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

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

A

isoprene
78-79-5

isoprene

B

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

6-O-allyl-1,2-O-isopropylidene-3-O-methallyl-α-D-glucofuranose

Conditions
ConditionsYield
With (PhSO2)2 In dichloromethane-d2; toluene at 80℃; for 28h;A n/a
B 82%
2-Methylbutyraldehyde
96-17-3, 57456-98-1

2-Methylbutyraldehyde

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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;
(E)-5-[N-(3-methylbut-2-enyl)-N-(toluene-4-sulfonyl)amino]pent-2-enoic acid methyl ester
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

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

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
iron(III) chloride In dichloromethane at 20℃; for 7h;A 78%
B n/a
formaldehyd
50-00-0

formaldehyd

tert-butyl alcohol
75-65-0

tert-butyl alcohol

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With phosphoric acid; oxalic acid; copper(II) sulfate In water under 9000.9 Torr; Reagent/catalyst; Pressure; Heating; Inert atmosphere;74.21%
4-iodo-2-methyl-but-1-ene
53750-52-0

4-iodo-2-methyl-but-1-ene

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

(E)-1-iodo-1-octene

A

oct-1-ene
111-66-0

oct-1-ene

B

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

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

C

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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%
formaldehyd
50-00-0

formaldehyd

isobutene
115-11-7

isobutene

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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%
2-methyl-3-buten-2-ol
115-18-4

2-methyl-3-buten-2-ol

A

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

3-Fluoro-3-methyl-but-1-ene

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With 1-fluoro-2-methyl-N,N-diisopropyl-propenylamine In chloroform at 20℃;A 71%
B 16%
formaldehyd
50-00-0

formaldehyd

isobutene
115-11-7

isobutene

tert-butyl alcohol
75-65-0

tert-butyl alcohol

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With phosphoric acid; water at 175 - 178℃; under 11401.1 Torr; for 24 - 32h; Product distribution / selectivity; Industry scale;67.1%
4-mesyloxy-2-methylbutene
80352-66-5

4-mesyloxy-2-methylbutene

A

methanesulfonic acid
75-75-2

methanesulfonic acid

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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%
3,3-Dimethylcyclopropen
3907-06-0

3,3-Dimethylcyclopropen

A

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

3-methyl-but-1-yne

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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;
formaldehyd
50-00-0

formaldehyd

isobutene
115-11-7

isobutene

A

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

4-methyl-3,6-dihydro-2H-pyran

B

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

4-methyl-3,4-dihydro-2H-pyran

C

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

3-methyl-butane-1,3-diol

D

methylcyclopentadiene
96-39-9

methylcyclopentadiene

E

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

3,4,4-trimethylcyclohexene

F

isovaleraldehyde
590-86-3

isovaleraldehyde

G

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
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%
2-<(-3-methyl-2-butenyl)oxy>tropone
50904-09-1

2-<(-3-methyl-2-butenyl)oxy>tropone

A

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

3-(1,1-dimethyl-2-propenyl)tropolone

B

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
at 140℃; for 2h; pyrolysis;A 50%
B 10 % Chromat.
With pyrolysis at 140℃; for 2h; Mechanism; other alkenyloxytropones;A 50%
B 10 % Chromat.
dichlorocarbene
1605-72-7

dichlorocarbene

isoprene
78-79-5

isoprene

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

1-vinyl-1-methyl-2,2-dichlorocyclopropane

Conditions
ConditionsYield
100%
trifluoromethyldiiodophosphine
421-59-0

trifluoromethyldiiodophosphine

isoprene
78-79-5

isoprene

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

4-Methyl-1,2-bis-trifluoromethyl-1,2,3,6-tetrahydro-[1,2]diphosphinine

Conditions
ConditionsYield
With tin(ll) chloride In tetrahydrofuran100%
4-Phenyl-1,2,4-triazolidine-3,5-dione
4233-33-4

4-Phenyl-1,2,4-triazolidine-3,5-dione

isoprene
78-79-5

isoprene

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

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

Conditions
ConditionsYield
In dichloromethane at -10℃;100%
1,6-bis(3,5-dioxo-1,2,4-triazoline4-yl)hexane
38727-98-9

1,6-bis(3,5-dioxo-1,2,4-triazoline4-yl)hexane

isoprene
78-79-5

isoprene

C20H28N6O4

C20H28N6O4

Conditions
ConditionsYield
In dichloromethane at -10℃;100%
isoprene
78-79-5

isoprene

polyisoprene

polyisoprene

Conditions
ConditionsYield
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%
styrene
292638-84-7

styrene

isoprene
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
ConditionsYield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;100%
styrene
292638-84-7

styrene

isoprene
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
ConditionsYield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;100%
styrene
292638-84-7

styrene

isoprene
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
ConditionsYield
With supramolecular complex of potassium with 18-crown-6 In tetrahydrofuran at 10℃; for 0.0833333h;100%
styrene
292638-84-7

styrene

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

isoprene
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
ConditionsYield
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%
isoprene
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
ConditionsYield
With [Me2Si(C5Me4)(μ-PC6H11)Y(CH2SiMe3)]2; trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 25℃; for 2h;100%
isoprene
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
ConditionsYield
With (η5-C5Me4(SiMe3))′Y(CH2SiMe3)2(thf); trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 25℃; for 2h;100%
isoprene
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
ConditionsYield
With [Me2Si(C5Me4)(μ-PC6H11)Y(CH2SiMe3)]2; trityl tetrakis(pentafluorophenyl)borate In chlorobenzene at 20℃; for 2h;100%
isoprene
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
ConditionsYield
With (C5Me4nPr)Nd(BH4)2(THF)2; dibutylmagnesium In n-heptane; toluene at 50℃; for 20h;100%
buta-1,3-diene
106-99-0

buta-1,3-diene

isoprene
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%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 0℃; for 3h;100%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 80℃; for 0.0833333h;100%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based scandium complex In chlorobenzene at 20℃; for 1h;100%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 20℃; for 1h;100%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based lutetium complex In chlorobenzene at 20℃; for 1h;100%
isoprene
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
ConditionsYield
With trityl tetrakis(pentafluorophenyl)borate; bis(2-diphenylphosphinophenyl)amine-based yttrium complex In chlorobenzene at 20℃; for 0.333333h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%
isoprene
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
ConditionsYield
diethylaluminium chloride In hexane at 40℃; for 24h;100%

78-79-5Relevant articles and documents

Oyekan,Dent

, p. 32,37 (1978)

Harding et al.

, p. 634 (1969)

-

Usow et al.

, p. 2721,2724; engl.Ausg.S.2761 (1957)

-

Isomerization of 1-Methylcyclobutene by Single Collision Activation at a Surface. Variation of Initial Energy

Arakawa, R.,Rabinovitch, B. S.

, p. 4772 - 4776 (1982)

The reaction probability per collision, Pc, for 1-methylcyclobutene activated at a hot seasoned fused silica surface has been measured under single collision conditions over the reactor temperature range Tr = 480-800 K.The initial thermal vibrational energy population distribution of the cyclobutene molecules was varied from Tc = 273 K to Tc 570 K.The reaction is isomerization to isoprene.Mixed samples of 1-methylcyclobutene and cyclobutene (which had been studied earlier) were used for internal comparison under the same conditions.These experiments provide a test of the relative suitability of various analytical forms for the collisional transition probability matrix P.Stochastic calculations with a Gaussian form provide the best overall fit to the data.The calculated average amount of energy (E0) transferred from the hot molecules in a vibrational down transition from the reaction threshold energy level, E0, declined from 7220 to 3890 cm-1 with increase in surface temperature from 600 to 800 K.The experimental collisional efficiency, β1, declined from 0.39 to 0.035 over the combination temperature range Tr,Tc = 600,500 to 800,293.Strong collider behavior was observed with both 1-methylcyclobutene and cyclobutene for Tr less than 450 K.

Isoprene Synthesis from Formaldehyde and Isobutylene in the Presence of Aluminum- and Niobium-Containing BEA Catalysts

Chistov, D. L.,Drozhzhin, V. R.,Ivanova, I. I.,Kots, P. A.,Ponomareva, O. A.,Rodionova, L. I.

, p. 942 - 949 (2020)

Abstract: A single-stage gas-phase synthesis of isoprene from formaldehyde and isobutylene in the presence of Al–BEA and Nb–BEA zeolite catalysts containing different amounts of aluminum and niobium has been studied. The physicochemical properties of the catalysts have been studied by low-temperature nitrogen adsorption, infrared spectroscopy of adsorbed CO, X-ray fluorescence analysis, and ammonia TPD methods. Catalytic tests have shown that, at similar formaldehyde conversion values, the isoprene selectivity is higher in the presence of the Al-containing BEA catalysts. It has been found that Al–BEA with Si/Al = 12 exhibits the highest activity in isoprene synthesis.

Bateman

, p. 1 (1947)

Uchida et al.

, p. 1118 (1971)

Mechanisms of Methylenecyclobutane Hydrogenation over Supported Metal Catalysts Studied by Parahydrogen-Induced Polarization Technique

Salnikov, Oleg G.,Burueva, Dudari B.,Kovtunova, Larisa M.,Bukhtiyarov, Valerii I.,Kovtunov, Kirill V.,Koptyug, Igor V.

, (2022/03/15)

In this work the mechanism of methylenecyclobutane hydrogenation over titania-supported Rh, Pt and Pd catalysts was investigated using parahydrogen-induced polarization (PHIP) technique. It was found that methylenecyclobutane hydrogenation leads to formation of a mixture of reaction products including cyclic (1-methylcyclobutene, methylcyclobutane), linear (1-pentene, cis-2-pentene, trans-2-pentene, pentane) and branched (isoprene, 2-methyl-1-butene, 2-methyl-2-butene, isopentane) compounds. Generally, at lower temperatures (150–350 °C) the major reaction product was methylcyclobutane while higher temperature of 450 °C favors the formation of branched products isoprene, 2-methyl-1-butene and 2-methyl-2-butene. PHIP effects were detected for all reaction products except methylenecyclobutane isomers 1-methylcyclobutene and isoprene implying that the corresponding compounds can incorporate two atoms from the same parahydrogen molecule in a pairwise manner in the course of the reaction in particular positions. The mechanisms were proposed for the formation of these products based on PHIP results.

Method for preparing isoprene

-

Paragraph 0039-0111, (2021/04/14)

The invention relates to a method for preparing isoprene by catalyzing isobutene and a formaldehyde solution through metal-doped cerium dioxide. Isobutene and a formaldehyde solution are used as reaction substrates, and under the action of a doped cerium dioxide catalyst, isoprene is prepared through Prins condensation, hydrolysis and dehydration. According to the method, isoprene can be obtained from isobutene and a formaldehyde solution in one step, and the catalyst is good in stability.

Piperazine-promoted gold-catalyzed hydrogenation: The influence of capping ligands

Barbosa, Eduardo C. M.,Camargo, Pedro H. C.,Fiorio, Jhonatan L.,Hashmi, A. Stephen K.,Kikuchi, Danielle K.,Rossi, Liane M.,Rudolph, Matthias

, p. 1996 - 2003 (2020/04/22)

Gold nanoparticles (NPs) combined with Lewis bases, such as piperazine, were found to perform selective hydrogenation reactions via the heterolytic cleavage of H2. Since gold nanoparticles can be prepared by many different methodologies and using different capping ligands, in this study, we investigated the influence of capping ligands adsorbed on gold surfaces on the formation of the gold-ligand interface. Citrate (Citr), poly(vinyl alcohol) (PVA), polyvinylpyrrolidone (PVP), and oleylamine (Oley)-stabilized Au NPs were not activated by piperazine for the hydrogenation of alkynes, but the catalytic activity was greatly enhanced after removing the capping ligands from the gold surface by calcination at 400 °C and the subsequent adsorption of piperazine. Therefore, the capping ligand can limit the catalytic activity if not carefully removed, demonstrating the need of a cleaner surface for a ligand-metal cooperative effect in the activation of H2 for selective semihydrogenation of various alkynes under mild reaction conditions.

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