3-Methyl-1-butene supplier

Name
3-Methyl-1-butene
EINECS 209-249-1
CAS No. 563-45-1
Article Data233
CAS DataBase
Density 0.658 g/cm³
Solubility Insoluble in water
Melting Point -168 °C
Formula C₅H₁₀
Boiling Point 20.059 °C at 760 mmHg
Molecular Weight 70.1344
Flash Point -56.667 °C
Transport Information UN 2561 3/PG 1
Appearance A colorless volatile liquid with a disagreeable odor
Safety 16-26-62
Risk Codes 12-36/37/38-65
Molecular Structure
Hazard Symbols F+,Xn
Synonyms 2-Methyl-3-butene;3,3-Dimethylpropene;3-Methyl-1-butene;Isopropylethene;Isopropylethylene;a-Isoamylene;
PSA 0.00000
LogP 1.82840

Synthetic route

: 60171-30-4
(E)-trimethyl-(β-methylcrotyl)silane

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

Conditions

Conditions	Yield
With tetrahydrofuran at 60℃; for 3h; Heating;	100%

: 90245-62-8, 146142-77-0
WCl2(PMePh2)4

: 74-85-1
ethene

A: 102307-86-8
WCl2{P(CH3)(C6H5)2}2(O)(C2H4)

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

Conditions

Conditions	Yield
With acetone In benzene-d6 2 mol equiv. acetone and 2 mol equiv. C2H4 condensed into NMR tube contg. 1 mol equiv. soln. W-complex/C6D6 at -196°C, tube sealed; not isolated, detected by NMR-spect.; other uncharacterized products also present;	A 94% B 31%

...Expand

: 123-51-3
i-Amyl alcohol

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

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

Conditions

Conditions	Yield
Ba-compounds on Al2O3 at 340℃; Product distribution / selectivity; Gas phase;	A 7% B 91.1%
aluminium oxide SP 537 at 280℃; under 1125.11 Torr; Product distribution / selectivity;
With aluminum oxide at 250 - 325℃; Temperature;
With aluminum oxide at 325℃; Flow reactor;	A 10 %Chromat. B 86.2 %Chromat.

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

: 78-79-5
isoprene

A: 563-80-4
3-methyl-butan-2-one

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

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

D: 630-19-3
pivalaldehyde

E C2-C4 hydrocarbons: C2-C4 hydrocarbons

Conditions

Conditions	Yield
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;;	A 8.2% B n/a C n/a D 0.6% E n/a

...Expand

: 60171-30-4
(E)-trimethyl-(β-methylcrotyl)silane

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

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

Conditions

Conditions	Yield
With potassium tert-butylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 60℃; for 3h;	A 85% B 5%

: 190260-50-5
(4S)-4-isopropyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide

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

B: 100-47-0
benzonitrile

Conditions

Conditions	Yield
at 600℃; under 0.001 Torr;	A 68% B 83%

: (bis(triphenylphosphine))-3,3-dimethylpalladacyclobutane

A: 463-82-1
2,2-dimethylpropane

B: 74-85-1
ethene

C: 1630-94-0
1,1-dimethylcyclopropane

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

E: 115-11-7
isobutene

Conditions

Conditions	Yield
In toluene inert atmosphere, thermal decompn. (85°C); GLC;	A 5% B 5% C 74% D 4% E 12%

...Expand

: 95903-96-1
triethylbenzylammonium ethanolate

: 107-82-4
i-pentyl bromide

A: 628-04-6
1-ethoxy-3-methyl-butane

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

Conditions

Conditions	Yield
at 20 - 25℃; for 1h;	A 62% B 2.2%

...Expand

: 598-25-4
Dimethylallene

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

B: 78-78-4
methylbutane

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

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

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.133333h; Product distribution; Ambient temperature; various time;	A 57.5% B 1.2% C 0.1% D 25.2%

...Expand

: 55068-34-3
2-chloro-3-methyl-butan-1-ol

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

Conditions

Conditions	Yield
With n-butyllithium; naphthalen-1-yl-lithium at -100℃;	54%

: bis(triphenylphosphine)-3,3-dimethylnickelacyclobutane

A: 463-82-1
2,2-dimethylpropane

B: 74-85-1
ethene

C: 1630-94-0
1,1-dimethylcyclopropane

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

E: 115-11-7
isobutene

Conditions

Conditions	Yield
With triphenylphosphine In toluene inert atmosphere, thermal decompn. (24°C, 5-fold molar excess PPh3); GLC;	A 2% B 28% C 11% D 7% E 52%
In toluene inert atmosphere, thermal decompn. (24°C); GLC;	A 6% B 15% C 47% D 6% E 26%

...Expand

: (bis(diphenylphosphino)ethane)-3,3-dimethylnickelacyclobutane

A: 463-82-1
2,2-dimethylpropane

B: 74-85-1
ethene

C: 1630-94-0
1,1-dimethylcyclopropane

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

E: 115-11-7
isobutene

Conditions

Conditions	Yield
In toluene inert atmosphere, thermal decompn. (60°C); GLC;	A 5% B 14% C 51% D 3% E 27%

...Expand

: 541-28-6
isopentyl iodide

A: 628-04-6
1-ethoxy-3-methyl-butane

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

Conditions

Conditions	Yield
With triethylbenzylammonium ethanolate at 20 - 25℃; for 1h;	A 50% B 19.8%

: 64-17-5
ethanol

: 4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

A: 63972-14-5
1-(dimethylphenylsilyl)-3-methyl-2-butene

B: 18410-34-9
3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol

C: 81906-05-0
4-(dimethylphenylsilyl)-2-methyl-1-butene

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

E: (3-ethoxy-3-methyl-butyl)-dimethyl-phenyl-silane

Conditions

Conditions	Yield
In water at 50℃; Rate constant;	A 49% B 24% C 12% D 3% E 12%

...Expand

: 75-89-8
2,2,2-trifluoroethanol

: 4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

A: 63972-14-5
1-(dimethylphenylsilyl)-3-methyl-2-butene

B: 18410-34-9
3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol

C: 81906-05-0
4-(dimethylphenylsilyl)-2-methyl-1-butene

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

E: dimethyl-[3-methyl-3-(2,2,2-trifluoro-ethoxy)-butyl]-phenyl-silane

Conditions

Conditions	Yield
In water at 50℃; Rate constant;	A 47% B 8% C 7% D 18% E 20%

...Expand

: 35913-82-7
cyclopentadienylirondicarbonyl hydride

: 78-79-5
isoprene

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

B: 38117-54-3
cyclopentadienyl iron(II) dicarbonyl dimer

C: 38905-70-3
(η5-cyclopentadienyl)Fe(CO)2(CH2CH=C(CH3)2)

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

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

Conditions

Conditions	Yield
In pentane under N2, stirring at room temp, the react. was complete within 20-30 min; evapn. (vac.), chromy. on alumina (eluent pentane for the hydrometalated products, and more polar solvents for the dimer), the org. products identiefied by GC and NMR;	A n/a B 46% C 19% D n/a E n/a

...Expand

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

A: 34557-54-5
methane

B: 107-01-7
butene-2

C: 74-84-0
ethane

D: 109-67-1
1-penten

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

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

Conditions

Conditions	Yield
hydrogen sulfide at 469.9℃; Rate constant; Kinetics; Product distribution; mechanism; effects of temperature, concentration; further products;	A 43.3% B 2.9% C 1.6% D 4.5% E 0.5% F 39.5%

...Expand

: 78-79-5
isoprene

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

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

Conditions

Conditions	Yield
With hydrogen; potassium; magnesium oxide at 99.9℃;	A 8.8% B 41.2%
With tri-1-napthylphosphine; hydrogen In dichloromethane-d2 at 50℃; under 3750.38 Torr; for 240h; Glovebox; Inert atmosphere; Sealed tube;	A 82 %Spectr. B 8 %Spectr.

: 19493-09-5
Methylenetriphenylphosphorane

OMo(NNCH-i-Pr)(S2CN(Et)2)2: OMo(NNCH-i-Pr)(S2CN(Et)2)2

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

Conditions

Conditions	Yield
for 24h; Ambient temperature;	40%

: 78-79-5
isoprene

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

B: 78-78-4
methylbutane

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

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

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.116667h; Product distribution; Ambient temperature; various time;	A 38.5% B 0.8% C 20.5% D 22%
With hydrogen; Pd2Cl2<<(EtO)2PO>2H>2 In ethanol at 20℃; Product distribution; influence of reaction time on pruduct distribution;
With hydrogen Product distribution; Rate constant; various Ni-catalysts (Ni-P, Ni-B, Raney nickel), temperatures;

...Expand

: 75066-71-6
2-isopropyl-5-methyl-2,3-dihydro-thiophene

: 762-42-5
dimethyl acetylenedicarboxylate

A: 75067-12-8
5-methyl-thiophene-2,3-dicarboxylic acid dimethyl ester

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

Conditions

Conditions	Yield
In benzene at 80℃;	A 37% B n/a

...Expand

: 78-78-4
methylbutane

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

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

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

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

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

F: 109-66-0
pentane

G: 78-79-5
isoprene

Conditions

Conditions	Yield
With platinum-aluminum catalyst at 600℃; Gas phase;	A n/a B n/a C n/a D n/a E n/a F n/a G 28.72%

...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

: 78-79-5
isoprene

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

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

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

Conditions

Conditions	Yield
With hydrogen; 1-n-butyl-3-methylimidazolium hexafluoroantimonate; [(bis(diphenylphosphino)ethane)Rh(norbornadiene)][PF6]	A 23% B 22% C 10%
With hydrogen; potassium cyanide; potassium hydroxide; potassium chloride; β‐cyclodextrin; cobalt(II) chloride In benzene under 760 Torr; for 10h; Ambient temperature; Yield given. Yields of byproduct given;
With sodium tetrahydroborate; complex of Pd with (C2H5O)2P(O)Cl In ethanol at 20℃; for 0.0666667h; Yield given;

...Expand

: (R)-3-Benzyl-4-isopropyl-1,1-dioxo-1λ6-thiazolidin-2-one

A: 1466-67-7
1,3-dibenzylurea

B: 780-25-6
N-benzylidene benzylamine

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

D: 100-47-0
benzonitrile

E: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

F: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
at 650℃; under 0.001 - 0.002 Torr; for 2.77778E-06h; Product distribution; other products of flash vacuum pyrolysis;	A 10% B 7% C 12% D 16% E 6% F 5%

...Expand

: 123-92-2
3-methyl-1-butyl acetate

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

Conditions

Conditions	Yield
at 750℃; under 0.007 Torr;	15%
at 500℃;
at 600℃;
at 700℃; im Stickstoffstrom an Glaswolle;
at 500℃; Pyrolysis;

: 187737-37-7
propene

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

B: 34557-54-5
methane

C: 74-98-6
propane

D: 109-67-1
1-penten

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

F: 75-19-4
cyclopropane

Conditions

Conditions	Yield
at -78.1℃; Product distribution; excited by the impact of low-energy electrons;	A 0.12% B 0.57% C 0.99% D 0.094% E 0.032% F 0.21%

...Expand

: 64-67-5
diethyl sulfate

: 544-01-4
isopentyl ether

A: 623-55-2
(+-)-5-methyl-3-hexanol

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

Conditions

Conditions	Yield
at 195℃;

...Expand

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

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

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

Conditions

Conditions	Yield
With aluminum oxide
at 250 - 400℃; an Al2O3 oder Al2O3-Mischkatalysatoren;

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

A: 109-67-1
1-penten

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

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

D: 109-68-2
2-pentene

Conditions

Conditions	Yield
at 200 - 380℃; Gleichgewichtsbestimmungen bei der Umlagerung ueber Silicagel;

...Expand

: 67969-82-8
tetrafluoroboric acid diethyl ether

: (η5-C5H5)(Me)(NO)(PPh3)rhenium(II)

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

: {(η5-C5H5)Re(NO)(PPh3)(H2CCHCH(CH3)2)}(BF4)

Conditions

Conditions	Yield
With C6H5Cl In chlorobenzene addn. of HBF4*Et2O to mixt. of the rhenium complex and C6H5Cl (under N2, -45°C, with stirring, 15 min), addn. of excess 3-methyl-but-1-ene, after 30 min cold bath removed, stirred (20 h); mixt. filtered into hexane, ppt. collected, washed with pentane, dried in vac.; 2 diastereomers: (RS,SR)/(RR,SS) = 62:38;	99%
With CH2Cl2 In dichloromethane addn. of HBF4*Et2O to mixt. of the rhenium complex and CH2Cl2 (NMR tube, under N2, -80°C, shaken), addn. of 3-methyl-but-1-ene at -78°C, allowed to warm to 20°C, kept at room temp. (2 d); mixt. filtered, addn. of hexane to the filtrate, ppt. collected, chromy. (silica gel, acetone/CH2Cl2); elem. anal.; 2 diastereomers: (RS,SR)/(RR,SS) = 67:33;	59%

...Expand

: 503835-80-1, 399042-79-6
[(C5(CH3)5)2Y(CH(CH3)CH2CH3)]

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

: 379737-96-9, 399042-75-2
[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]

Conditions

Conditions	Yield
In not given byproducts: 2-butene; at -60°C;	99%

: bis[bis(pentamethylcyclopentadienyl)(μ-hydride)yttrium]

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

: 379737-96-9, 399042-75-2
[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]

Conditions

Conditions	Yield
In further solvent(s) 1:1 methylcyclohexane-d14 : pentane-d12, -78°C, few min; not sepd., detected by NMR spectra;	99%

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

: 10288-13-8
1,2-dibromo-3-methylbutane

Conditions

Conditions	Yield
With bromine In chloroform at -65℃;	95%
With bromine In dichloromethane for 1h;	86.9%
With bromine

: 82235-61-8
ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate

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

: ethyl rac-(2aS,8bS)-1,8b-dihydro-1-(1-methylethyl)-6,8-dimethoxy-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions

Conditions	Yield
In benzene Irradiation;	94%

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

: 188567-96-6
(3R,4R)-5-(tert-butyldimethylsiloxy)-3,4-(isopropylidenedioxy)pent-1-ene

: 870093-65-5
tert-Butyl-[(4R,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-ylmethoxy]-dimethyl-silane

Conditions

Conditions	Yield
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 40℃; for 38h;	94%

: sodium aluminum tetrahydride

: 96-10-6
diethylaluminium chloride

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

: 569660-11-3
diisoamylethylaluminum

Conditions

Conditions	Yield
In toluene byproducts: LiCl; NaAlH4 loaded in a vertical-type ball mill under Ar or N2; toluene added; mixt. agitated for 10 min at 70°C; mixt. of Et22AlCl with olefin (NaAlH4:Et2AlCl:olefin=1.04:1.0:4.5) added; mixt. agitated for 1.5 h at 100°C; cooled; suspn. filtered off under Ar; solvent and olefin removed (vac.);elem. anal.;	93%

...Expand

: 2441-97-6
3-chloro-cyclohexene

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

: (-)-3-isopentylcyclohex-1-ene

Conditions

Conditions	Yield
Stage #1: 3-Methyl-1-butene With copper(l) iodide; Schwartz's reagent; (3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-bis-(1-phenyl-ethyl)-amine In dichloromethane; chloroform at 20℃; for 0.4h; Stage #2: 3-chloro-cyclohexene In dichloromethane; chloroform	93%

: sodium aluminum tetrahydride

: 96-10-6
diethylaluminium chloride

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

: 569660-12-4
isoamylethylaluminum hydride

Conditions

Conditions	Yield
In toluene byproducts: LiCl; NaAlH4 loaded in a vertical-type ball mill under Ar or N2; toluene added; mixt. agitated for 10 min at 70°C; mixt. of Et22AlCl with olefin (NaAlH4:Et2AlCl:olefin=1.04:1.0:1.98) added; mixt. agitated for 1.5 h at 100°C; cooled; suspn. filtered off under Ar; solvent and olefin removed (vac.);elem. anal.;	92.2%

...Expand

: 201230-82-2
carbon monoxide

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

A: 73739-24-9
(2s)-(+)-2,3-dimethyl-1-butanal

B: 49642-48-0
(R)-2,3-dimethylbutanal

C: 1119-16-0
isocaproic aldehyde

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene under 76000 Torr; Yields of byproduct given;	A n/a B n/a C 92%
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene under 76000 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C 92%

...Expand

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

: 1263301-68-3
2-chloro-3-methyl-1-(pentafluoro-λ6-sulfanyl)butane

Conditions

Conditions	Yield
Stage #1: 3-Methyl-1-butene With pentafluorosulfanyl chloride In dichloromethane at -40℃; Stage #2: With triethyl borane In hexane; dichloromethane at -40 - 20℃; Stage #3: With water; sodium hydrogencarbonate In hexane; dichloromethane	92%

: 110-89-4
piperidine

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

: 536-74-3
phenylacetylene

: 93477-21-5
4-(1-isopropyl-3-phenyl-2-propynyl)piperidine

Conditions

Conditions	Yield
With polystyrene supported 1,2,3-triazolyl N-methylimidazolyl silver bromide complex In dichloromethane at 20℃; for 12h; Schlenk technique;	92%

...Expand

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

: 1972-28-7
diethylazodicarboxylate

: Diethyl 1-(3-methyl-2-buten-1-yl)-1,2-hydrazinedicarboxylate

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane at -60℃; for 0.0833333h;	91%

: 856438-71-6
3-benzyloxycarbonyl-5,7-dimethoxycoumarin

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

: benzyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions

Conditions	Yield
In benzene for 24h; Irradiation;	91%

: 1417606-44-0
(2S,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepa-3-yl)hept-6-enamide

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

: 1417606-45-1
(2S,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;	90%

: 870093-45-1
(2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-((4S,5R)-2,2-dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide

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

: (2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-[(4S,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-yl]-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide

Conditions

Conditions	Yield
[1,3-bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(O-isopropoxyphenylmethylene)ruthenium In dichloromethane at 40℃;	89%

: 1417606-39-3
(2R,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hept-6-enamide

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

: 1417606-40-6
(2R,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;	89%

: 856438-65-8
tert-butyl 5,7-dimethoxycoumarin-3-carboxylate

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

: tert-butyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions

Conditions	Yield
In benzene for 24h; Irradiation;	88%

: 1417606-35-9
(2S,3R,4S,5R)-3,4,5-tris(benzyloxy)-2-methoxy-N-((S)-2-oxoazepan-3-yl)hept-6-enamide

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

: 1417606-36-0
(2S,3R,4S,5R,E)-3,4,5-tris(benzyloxy)-2-methoxy-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;	88%

: 1417606-49-5
(2R,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide

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

: 1417606-52-0
(2R,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;	88%

: 1417606-50-8
(2S,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide

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

: 1417606-53-1
(2S,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;	88%

: ethyl 10'-formyl-9'-(3-methoxypropoxy)-2'-oxo-2',7'dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carboxylate

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

: 3'-(ethoxycarbonyl)-9'-(3-methoxypropoxy)-2'-oxo-2',7'-dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-10'-carboxylic acid

Conditions

Conditions	Yield
With sodium chlorite; sodium dihydrogenphosphate In tetrahydrofuran; tert-butyl alcohol at 0℃; for 0.25h;	88%

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

: 70-11-1
α-bromoacetophenone

: 1235335-05-3
2-(3-methylbut-2-enylsulfonyl)-1-phenylethanone

Conditions

Conditions	Yield
Stage #1: 3-Methyl-1-butene With sulfur dioxide; boron trichloride In dichloromethane at -196 - -20℃; for 3h; Stage #2: With sodium hydroxide In dichloromethane at 5 - 20℃; Stage #3: α-bromoacetophenone With tetrabutyl-ammonium chloride In dichloromethane at 20℃; for 12h;	87%

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

: 4104-47-6
N-sulfinyl-p-toluenesulfonamide

: 75668-50-7
N-(3-Methyl-2-butenylsulfinyl)-p-toluolsulfonamid

Conditions

Conditions	Yield
In toluene at 20℃; for 18h;	85%

: 4141-91-7
1,1,1,3,3,3-hexafluoroisopropyl iodide

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

: 141810-08-4
1,1,1-Trifluoro-4-iodo-5-methyl-2-(trifluoromethyl)hexane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) at 80℃; for 10h;	84%

3-Methyl-1-butene Consensus Reports

Reported in EPA TSCA Inventory.

3-Methyl-1-butene Specification

The 3-Methyl-1-butene, with the CAS registry number 563-45-1, is also known as 3-Methylbut-1-ene. It belongs to the product categories of Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry; Alpha Sort; Hydrocarbons; NeatsGasoline, Diesel, Petroleum; Olefins; Substance classes; Volatiles/ Semivolatiles; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents; Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 209-249-1. This chemical's molecular formula is C₅H₁₀ and molecular weight is 70.13. What's more, its systematic name is 3-Methyl-1-butene. This chemical is used to make other chemicals.

Physical properties of 3-Methyl-1-butene are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.26; (6)ACD/BCF (pH 7.4): 65.26; (7)ACD/KOC (pH 5.5): 692.69; (8)ACD/KOC (pH 7.4): 692.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.384; (13)Molar Refractivity: 24.897 cm³; (14)Molar Volume: 106.54 cm³; (15)Polarizability: 9.87×10^-24cm³; (16)Surface Tension: 17.4 dyne/cm; (17)Density: 0.658 g/cm³; (18)Flash Point: -56.667 °C; (19)Enthalpy of Vaporization: 25.581 kJ/mol; (20)Boiling Point: 20.059 °C at 760 mmHg; (21)Vapour Pressure: 905.327026367188 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-Methyl-4-trimethylsilylbut-2-ene by heating. This reaction will need reagent THF with the reaction time of 3 hours. The yield is about 100%.

3-Methyl-1-butene can be prepared by 3-Methyl-4-trimethylsilylbut-2-ene by heating

Uses of 3-Methyl-1-butene: it can be used to produce 1,2-dibromo-3-methyl-butane at the temperature of -65 °C. It will need reagent Br₂ and solvent CHCl₃. The yield is about 95%.

3-Methyl-1-butene can be used to produce 1,2-dibromo-3-methyl-butane at the temperature of -65 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. It is harmful as it may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, it will not induce vomiting, and you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\C(C)C
(2)Std. InChI: InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
(3)Std. InChIKey: YHQXBTXEYZIYOV-UHFFFAOYSA-N

Product Name

3-Methyl-1-butene

Synthetic route

3-Methyl-1-butene Consensus Reports

3-Methyl-1-butene Specification

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