3,4-Epoxy-1-butene supplier

Name
BUTADIENE MONOXIDE
EINECS 213-210-4
CAS No. 930-22-3
Article Data57
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point -135 °C
Formula C₄H₆O
Boiling Point 70 °C at 760 mmHg
Molecular Weight 70.091
Flash Point -50 °C
Transport Information UN 1993 3/PG 2
Appearance clear colorless to light yellow liquid
Safety 16-26-36/37
Risk Codes 11-22-36
Molecular Structure
Hazard Symbols Xn,F
Synonyms 1-Butene,3,4-epoxy- (6CI,8CI);Oxirane, ethenyl- (9CI);1,2-Epoxy-3-butene;1,2-Oxido-3-butene;1,3-Butadiene monoepoxide;1,3-Butadiene monooxide;1,3-Butadiene monoxide;1,3-Butadiene oxide;2-Vinyloxirane;Butadiene epoxide;Butadiene monoepoxide;Butadienemonooxide;Butene 3,4-epoxide;Epoxybutadiene;Ethenyloxirane;NSC 24251;NSC8023;Vinyl epoxide;Vinyloxirane;
PSA 12.53000
LogP 0.57120

Synthetic route

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

A: 930-22-3
epoxybutene

B: 564-00-1, 1464-53-5, 30031-64-2, 30419-67-1, 34897-03-5, 298-18-0
1,2:3,4-Diepoxybutane

Conditions

Conditions	Yield
Stage #1: With sodium oxalate; oxalic acid; manganese(II) acetate; N,N',N''-trimethyl-1,4,7-triazacyclononane In water Stage #2: buta-1,3-diene With dihydrogen peroxide In water at -40 - 25℃; under 2400.24 - 3900.39 Torr; for 8.5h; Cooling with acetone-dry ice;	A n/a B 95.5%

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With [N,N'-bis(salicylidene)-1,2-ethanediaminato]Mn(III) chloride; iodosylbenzene In dichloromethane	92%
With dihydrogen peroxide; teterabutylammonium In acetonitrile at 31.85℃; for 9h;	91%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 45℃; for 48h;

: 13287-42-8
(2-bromoethyl)oxirane

: 996-82-7, 34727-00-9, 73177-21-6
sodium diethylmalonate

: 64-17-5
ethanol

: 930-22-3
epoxybutene

...Expand

: 671-56-7
1-chloro-2-hydroxy-3-butene

: 124-41-4
sodium methylate

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
bei Raumtemperatur in 35 min;

: 79-21-0
peracetic acid

: 60-29-7
diethyl ether

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
at 17 - 18℃; Geschwindigkeit;

...Expand

: 79-21-0
peracetic acid

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With ethyl acetate
With acetone

: 93-59-4
Perbenzoic acid

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With chloroethane

: 110-22-5
diacetyl peroxide

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With diethyl ether

: 764-41-0
1,4-dichloro-2-butene

A: 930-22-3
epoxybutene

B: 627-22-5
1-chloroprene

C: 821-11-4, 6117-80-2, 110-64-5
1,4-butenediol

D: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
With sodium hydroxide; N-benzyl-N-dodecyl-N,N-bis(beta-hydroxyethyl)ammonium chloride at 60 - 90℃; Product distribution; Kinetics; Thermodynamic data; further catalyst and base; E(excit.);

...Expand

: 821-11-4
(E)-2-butene-1,4-diol

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With diethoxyltriphenylphosphorane In chloroform-d1 at 61℃; for 18h; Yield given;

: 33746-94-0
(2E)-4-bromobut-2-en-1-yl acetate

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With potassium hydroxide at 60 - 80℃; for 0.333333h; Yield given;
With potassium hydroxide Yield given;

: 34414-28-3
(E)-1-chloro-4-acetoxybut-2-ene

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With potassium hydroxide at 60 - 80℃; for 0.333333h; Yield given;
With potassium hydroxide

: 4-bromo-3-buten-1-ol

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With sodium hydroxide at 90℃;

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

A: 930-22-3
epoxybutene

B: 7319-38-2
3-butenal

C: 10102-43-9
nitrogen(II) oxide

Conditions

Conditions	Yield
With Nitrogen dioxide In solid matrix Mechanism; Rate constant; Irradiation; Ar matrix;

...Expand

: 564-00-1, 1464-53-5, 30031-64-2, 30419-67-1, 34897-03-5, 298-18-0
1,2:3,4-Diepoxybutane

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With B single-collision conditions;

: 3425-61-4
tert-amyl hydroperoxide

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

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With molybdenum propylene glycolate at 80℃; kinetic studies; var. conc. of peroxide and molybdenum glycolate;

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

A: 930-22-3
epoxybutene

B: 107-02-8
acrolein

C: (E)-4-Nitrooxy-but-2-enal

D: (E)-4-Nitrooxy-but-2-en-1-yl-hydroperoxide

Conditions

Conditions	Yield
With Nitrogen dioxide; dinitrogen pentoxide; nitrate radical at 298℃; under 740 Torr; Product distribution; Further Variations:; Reagents; Oxidation; Nitration; Photolysis;

...Expand

(+-)-1-bromo-but-3-en-2-ol: (+-)-1-bromo-but-3-en-2-ol

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With sodium hydroxide
With potassium hydroxide

(+-)-1-chloro-but-3-en-2-ol: (+-)-1-chloro-but-3-en-2-ol

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With sodium hydroxide
With potassium hydroxide

(+-)-3-acetoxy-tetrahydro-furan: (+-)-3-acetoxy-tetrahydro-furan

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With hydrogen bromide Behandeln des Reaktionsprodukts mit Kaliumhydroxid;

(+-)-4-chloro-1,2-epoxy-butane: (+-)-4-chloro-1,2-epoxy-butane

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With sodium hydroxide

<β-bromo-ethyl>-ethylene oxide: <β-bromo-ethyl>-ethylene oxide

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With potassium hydroxide

: 13287-42-8
(2-bromoethyl)oxirane

potassium hydroxide: potassium hydroxide

: 930-22-3
epoxybutene

: 34414-26-1
3-Acetoxy-4-bromo-1-butene

alkaline solution: alkaline solution

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
at 100℃;

: 671-56-7
1-chloro-2-hydroxy-3-butene

KOH: KOH

: 930-22-3
epoxybutene

: 13422-63-4
acetic acid-(1-chloromethyl-allyl ester)

KOH: KOH

: 930-22-3
epoxybutene

: 96039-67-7
4-acetoxy-3-chloro-1-butene

potassium hydroxide: potassium hydroxide

: 930-22-3
epoxybutene

: 671-56-7
1-chloro-2-hydroxy-3-butene

NaHCO3: NaHCO3

A: 930-22-3
epoxybutene

B: 497-06-3
3,4-butenediol

C: 821-11-4
(E)-2-butene-1,4-diol

...Expand

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

A: 930-22-3
epoxybutene

B: 110-00-9
furan

C: 124-38-9
carbon dioxide

D: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
With oxygen; aluminum oxide; silver at 270℃; Product distribution; Further Variations:; butadiens: 2,3-d2; 1,1,4,4-d4; d6;

...Expand

: 930-22-3
epoxybutene

: 67-56-1
methanol

: 18231-00-0
2-(R)-2-Methoxybut-3-en-1-ol

Conditions

Conditions	Yield
With aluminium(III) triflate at 100℃; for 1h; regioselective reaction;	100%
Stage #1: epoxybutene; methanol at 0℃; for 0.5h; Stage #2: With sulfuric acid at 0 - 20℃; for 3h;	25%
With boron trifluoride diethyl etherate

: 930-22-3
epoxybutene

: 1121-89-7
piperidine-2,6-dione

: 1182277-91-3
1-[(1R)-1-(hydroxymethyl)-2-propenyl]-2,6-piperidinedinone

Conditions

Conditions	Yield
Stage #1: piperidine-2,6-dione With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate In dichloromethane at 20℃; for 1.16667h; Inert atmosphere; Stage #2: epoxybutene In dichloromethane at 20℃; for 14h; Inert atmosphere; optical yield given as %ee; regioselective reaction;	100%

: 930-22-3
epoxybutene

: 4-(mercaptomethyl)-4-methyloxazolidin-2-one

: 1373434-39-9
4-((2-hydroxybut-3-enyl)thiomethyl)-4-methyloxazolidin-2-one

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 14h;	100%

: 930-22-3
epoxybutene

: 24424-99-5
di-tert-butyl dicarbonate

: 107-11-9
1-amino-2-propene

: 224779-26-4
N-allyl-N-(2-hydroxy-but-3-enyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: epoxybutene; 1-amino-2-propene In water at 80℃; for 6h; Stage #2: di-tert-butyl dicarbonate With sodium hydroxide In 1,4-dioxane; water at 20℃;	100%
Stage #1: epoxybutene; 1-amino-2-propene In water at 100℃; for 6h; Stage #2: di-tert-butyl dicarbonate With sodium hydroxide In 1,4-dioxane; water at 20℃; for 12h;	56%

...Expand

: 930-22-3
epoxybutene

: 24424-99-5
di-tert-butyl dicarbonate

: 2878-14-0
2-methylallylamin

: tert-butyl (2-hydroxybut-3-en-1-yl)(2-methylallyl)carbamate

Conditions

Conditions	Yield
Stage #1: epoxybutene; 2-methylallylamin In water at 80℃; for 6h; Stage #2: di-tert-butyl dicarbonate With sodium hydroxide In 1,4-dioxane; water at 20℃;	100%

...Expand

: 930-22-3
epoxybutene

: 75-77-4
chloro-trimethyl-silane

: 80717-11-9
(1-Chloromethyl-allyloxy)-trimethyl-silane

Conditions

Conditions	Yield
triphenylphosphine In chloroform at -50℃; for 0.25h;	99%

: 930-22-3
epoxybutene

: 75159-10-3
N-(4-methylbenzylidene)-p-toluenesulfonamide

: 2-(4-methylphenyl)-N-tosyl-4-vinyloxazolidine

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran for 4h; Ambient temperature;	99%

: 930-22-3
epoxybutene

: 75159-10-3
(E)-N-4-methylbenzylidene-4-toluenesulfonamide

: 2-(4-methylphenyl)-N-tosyl-4-vinyloxazolidine

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 4h; Cycloaddition;	99%

: 930-22-3
epoxybutene

: 501-53-1
benzyl chloroformate

: 1075689-58-5
((E)-4-hydroxy-but-2-enyl)-carbamic acid benzyl ester

Conditions

Conditions	Yield
Stage #1: epoxybutene In benzene-d6 at 23℃; Stage #2: benzyl chloroformate With potassium carbonate In tetrahydrofuran; benzene-d6 at 23℃; for 12h; Further stages.;	99%

: 930-22-3
epoxybutene

poly(3,4-epoxy-1-butene): poly(3,4-epoxy-1-butene)

Conditions

Conditions	Yield
C64H74Cl2Co2N4O4; bis(triphenylphosphoranylidene)-ammonium acetate In toluene at 0℃; for 21h;	99%

: 930-22-3
epoxybutene

: 136918-14-4
phthalimide

: 174810-06-1
(+)-2-[(1R)-(hydroxymethyl)prop-2-enyl]-1H-isoindole-1,3-(2H)-dione

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate optical yield given as %ee;	99%
With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate optical yield given as %ee; enantioselective reaction;	99%
Stage #1: phthalimide With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: epoxybutene In dichloromethane at 20℃; for 14h; Inert atmosphere;	99%
Stage #1: phthalimide With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: epoxybutene In dichloromethane at 20℃; for 12h; Inert atmosphere;	97%
With bis(η3-allyl-μ-chloropalladium(II)); N,N’-(1S,2S)-cyclohexane-1,2-diylbis[2-(diphenylphosphino)-1-naphthamide]; sodium carbonate In dichloromethane at 20℃; Inert atmosphere; enantioselective reaction;	92%

: 930-22-3
epoxybutene

: 63959-88-6
tert-butyl N-(trifluoroacetyl)glycinate

: C13H20F3NO4

Conditions

Conditions	Yield
Stage #1: tert-butyl N-(trifluoroacetyl)glycinate With zinc(II) chloride; lithium hexamethyldisilazane Inert atmosphere; Stage #2: epoxybutene With bis(η3-allyl-μ-chloropalladium(II)); triphenylphosphine In tetrahydrofuran at -78 - 20℃; for 16h; Inert atmosphere;	99%

: 930-22-3
epoxybutene

: 1217-89-6
1-benzylisatin

: dimethyl-1'-methyl-2'-oxo-5-((E)-styryl)-4,5-dihydro-3H-spiro[furan-2,3'-indoline]-3,3-dicarboxylate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); (4R,5R)-2-((S)-1-(2-(dibutylphosphino)naphthalen-1-yl)naphthalen-2-yl)-4,5-diphenyl-1-tosyl-4,5-dihydro-1H-imidazole In tetrahydrofuran at 20℃; for 48h; Inert atmosphere; Schlenk technique;	99%

: 930-22-3
epoxybutene

: 35660-91-4, 35845-66-0, 495-41-0
(E)-1-phenyl-2-buten-1-one

: (2-methyl-4-vinyltetrahydrofuran-3-yl)(phenyl)methanone

Conditions

Conditions	Yield
With 5,5’-bis(diphenylphosphino)-2,2,2’,2’-tetrafluoro-4,4’-bi-1,3-benzodioxole; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In 1,4-dioxane at 15℃; for 120h; Inert atmosphere; Sealed tube; stereoselective reaction;	99%

: 930-22-3
epoxybutene

: 123-73-9
trans-Crotonaldehyde

Conditions

Conditions	Yield
With lithium phosphate In hexane at 310℃; Isomerization;	98.9%

: 930-22-3
epoxybutene

: 17314-40-8
3-Methyl-2-butenyl-trimethylstannane

: 81812-73-9
3,3-Dimethyl-2-vinyl-pent-4-en-1-ol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -78℃; for 0.5h;	98%

: 930-22-3
epoxybutene

: 622-16-2
1,3-Diphenylcarbodiimide

: 121485-54-9
N-phenyl-3-phenyl-4-vinyl-1,3-oxazolidin-2-imine

Conditions

Conditions	Yield
With triphenylphosphine; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 15h; Ambient temperature;	98%
tetraphenyl stibonium iodide In benzene at 40℃; for 29h;	62%
With (R)-C1-TunePhos; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In tetrahydrofuran at 20℃; Product distribution; Further Variations:; Reagents;

: 930-22-3
epoxybutene

: 136918-14-4
phthalimide

: 174810-05-0
(-)-2-[(1S)-(hydroxymethyl)prop-2-enyl]-1H-isoindole-1,3-(2H)-dione

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); R,R-C52H44N2O2P2 chiral ligand; sodium carbonate In dichloromethane for 14h; Ambient temperature;	98%
With sodium carbonate; (1R,2R)-(+)-1,2-diaminocyclohexane-N,N’-bis(2-diphenylphosphino-1-naphthoyl); bis(η3-allyl-μ-chloropalladium(II)) In dichloromethane at 20℃; for 14h; ring cleavage;	98%
With bis(η3-allyl-μ-chloropalladium(II)); sodium carbonate; (1R,2R)-(+)-1,2-diaminocyclohexane-N,N’-bis(2-diphenylphosphino-1-naphthoyl) In dichloromethane at 20℃; for 22h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	98%

: 930-22-3
epoxybutene

: 104-12-1
p-chlorphenylisocyanate

: 115148-33-9
3-(4-chlorophenyl)-4-vinyloxazolidin-2-one

Conditions

Conditions	Yield
With triphenylphosphine; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 15h; Ambient temperature;	98%

: 930-22-3
epoxybutene

: 1708-29-8
2,5-dihydrofuran

Conditions

Conditions	Yield
at 130 - 140℃; under 760.051 Torr;	98%
at 120 - 140℃; under 760.051 Torr;	98%
at 130℃; under 760.051 Torr;	98%

: 930-22-3
epoxybutene

: 40637-56-7
dimethyl allylmalonate

: 158627-63-5
dimethyl allyl(4-hydroxy-2E-butenyl)malonate

Conditions

Conditions	Yield
With Pd2(dba)4; 1,2-bis-(diphenylphosphino)ethane In tetrahydrofuran at 20℃; for 3h;	98%

: 930-22-3
epoxybutene

: 127201-32-5
1-hydroxy-2-iodo-3-butene

Conditions

Conditions	Yield
With water; hydrogen iodide at 0℃; for 0.166667h; Darkness;	98%

: 930-22-3
epoxybutene

: 3406-02-8
bis(phenylsulfonyl)methane

: C17H18O5S2

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane In tetrahydrofuran at 20℃; for 5h;	98%

: 930-22-3
epoxybutene

: 620-80-4
ethyl 2-benzylidene acetoacetate

: 1338338-58-1
C17H20O4

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); (E)-N-cyclohexyl-1-(2-(diphenylphosphanyl)phenyl)methanimine In toluene at 30℃; for 24h;	98%

: 930-22-3
epoxybutene

: 124-38-9
carbon dioxide

: 4427-96-7
4-vinyl-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With 1-methyl-3-(3-phenylthioureido)pyridinium iodide; tetra-(n-butyl)ammonium iodide at 60℃; Sealed tube;	97%
With dmap; C40H49AlN4O4S2 at 20 - 120℃; under 750.075 Torr; for 8h; Catalytic behavior; Autoclave;	97%
With calcium iodide In neat (no solvent) at 25℃; under 7500.75 Torr; for 24h;	95%

: 930-22-3
epoxybutene

: 100-56-1
phenylmercury(II) chloride

: 42238-15-3
4-phenyl-2-buten-1-ol

Conditions

Conditions	Yield
With lithium chloride; copper dichloride; palladium dichloride In tetrahydrofuran; water 0 deg C, 10-12 h then 25 deg C, 2-3 h;	97%

: 930-22-3
epoxybutene

: 100-52-7
benzaldehyde

: 104683-49-0
(2E)-5-phenylpent-2-ene-1,5-diol

Conditions

Conditions	Yield
With carbon monoxide; tetrabutylammomium bromide; water; triethylamine; dodecacarbonyl-triangulo-triruthenium In 1,4-dioxane at 75℃; under 2068.65 Torr; for 20h; Product distribution / selectivity; Autoclave;	97%
With rhodium(III) chloride hydrate; carbon monoxide; tetrabutyl-ammonium chloride; water; triethylamine In 1,4-dioxane at 75℃; under 2068.65 Torr; for 24h; Reagent/catalyst; Inert atmosphere; diastereoselective reaction;	88%

: 930-22-3
epoxybutene

: 67300-99-6
1-phenylethenylmagnesium bromide

: 1609173-14-9
(E)-5-phenyl-hexa-2,5-dien-1-ol

Conditions

Conditions	Yield
With copper(l) cyanide In tetrahydrofuran at -78℃; for 1.5h; Inert atmosphere;	97%

: 930-22-3
epoxybutene

: 3376-23-6
N-methyl-α-phenylnitrone

: 2-methyl-3-phenyl-6-vinyl-1,4,2-dioxazinane

Conditions

Conditions	Yield
With aluminum (III) chloride In acetonitrile at 40℃; for 7h; Inert atmosphere; diastereoselective reaction;	97%

: 930-22-3
epoxybutene

: C8H9NO3S

: 9-methyl-3-vinyl-3,10b-dihydro-2H-benzo[e]oxazolo[3,2-c][1,2,3]oxathiazine5,5-dioxide

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tetrabutylammomium bromide; bis[2-(diphenylphosphino)phenyl] ether In dichloromethane at 20℃; for 6h; Inert atmosphere; Schlenk technique; diastereoselective reaction;	97%

3,4-Epoxy-1-butene Consensus Reports

Reported in EPA TSCA Inventory.

3,4-Epoxy-1-butene Specification

The 3,4-Epoxy-1-butene, with the CAS registry number 930-22-3, is also known as Butadiene monoepoxide. It belongs to the product categories of Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS number is 213-210-4. This chemical's molecular formula is C₄H₆O and molecular weight is 70.09. What's more, its systematic name is 2-Vinyloxirane. Its classification codes are: (1)Mutagens; (2)Mutation data; (3)Noxae; (4)Tumor data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and water.

Physical properties of 3,4-Epoxy-1-butene are: (1)ACD/LogP: 0.192; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.30; (8)ACD/KOC (pH 7.4): 30.30; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.53 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 21.609 cm³; (15)Molar Volume: 65.141 cm³; (16)Polarizability: 8.566×10^-24cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: -50 °C; (20)Enthalpy of Vaporization: 29.867 kJ/mol; (21)Boiling Point: 70 °C at 760 mmHg; (22)Vapour Pressure: 142.6 mmHg at 25°C.

Preparation: this chemical can be prepared by buta-1,3-diene at the ambient temperature. This reaction will need reagent NaOCl and solvents CH₂Cl₂, H₂O with the reaction time of 24 hours. The yield is about 92%.

3,4-Epoxy-1-butene can be prepared by buta-1,3-diene at the ambient temperature

Uses of 3,4-Epoxy-1-butene: it can be used to produce 1,2-dibromo-3,4-epoxy-butane at the temperature of 0 °C. It will need reagent Br₂ and solvent CH₂Cl₂ with the reaction time of 3 hours. The yield is about 65%.

3,4-Epoxy-1-butene can be used to produce 1,2-dibromo-3,4-epoxy-butane at the temperature of 0 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes and it is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(\C=C)C1
(2)Std. InChI: InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
(3)Std. InChIKey: GXBYFVGCMPJVJX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	168mg/kg (168mg/kg)		Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980.

Product Name

BUTADIENE MONOXIDE

Synthetic route

3,4-Epoxy-1-butene Consensus Reports

3,4-Epoxy-1-butene Specification

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