4-Bromo-1-butyne supplier | CasNO.38771-21-0

Name
4-BROMO-1-BUTYNE
EINECS
CAS No. 38771-21-0
Article Data9
CAS DataBase
Density 1.417
Solubility Immiscible with water.
Melting Point
Formula C4H5 Br
Boiling Point 110 °C
Molecular Weight 132.988
Flash Point 24 ºC
Transport Information
Appearance
Safety 36/37-45
Risk Codes R10;R25;R43
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-3-butyne;4-Bromo-1-butyne
PSA 0.00000
LogP 1.40460

Synthetic route

: 927-74-2
1-butyn-4-ol

: 38771-21-0
4-bromobut-1-yne

Conditions

Conditions	Yield
With phosphorus tribromide	27%
With pyridine; diethyl ether; phosphorus tribromide
With pyridine; phosphorus tribromide
In phosphorus tribromide; diethyl ether	11 g (59%)
With phosphorus tribromide

: 23418-85-1
3-butyn-1-yl p-toluenesulfonate

: 38771-21-0
4-bromobut-1-yne

Conditions

Conditions	Yield
With ethoxyethoxyethanol; calcium bromide
With lithium bromide In acetone Yield given;
With sodium bromide In acetonitrile

: 38771-21-0
4-bromobut-1-yne

: 70978-37-9
1-(azidomethyl)-4-methoxybenzene

: 1-(4-methoxybenzyl)-4-vinyl-1H-1,2,3-triazole

Conditions

Conditions	Yield
Stage #1: 4-bromobut-1-yne; 1-(azidomethyl)-4-methoxybenzene With copper(ll) sulfate pentahydrate; sodium L-ascorbate In ethanol; water at 25℃; for 12h; Green chemistry; Stage #2: With sodium hydroxide In ethanol; water at 45℃; for 8h; Reagent/catalyst; Temperature; Concentration; Green chemistry;	99%

: 38771-21-0
4-bromobut-1-yne

: 1214264-88-6
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

: 1620061-24-6
2-(4-bromobut-1-en-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

Conditions

Conditions	Yield
With (1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) copper chloride; potassium tert-butylate In tetrahydrofuran; methanol at 50℃; for 3h; Schlenk technique; Inert atmosphere; regioselective reaction;	99%

: 38771-21-0
4-bromobut-1-yne

: tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride

: tert-butyl 2-(but-3-ynyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

Conditions

Conditions	Yield
Stage #1: tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride With caesium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: 4-bromobut-1-yne In acetonitrile for 18h; Reflux;	98%
With caesium carbonate In acetonitrile for 18h; Reflux;	98%
With caesium carbonate In acetonitrile at 60℃;	72%
With caesium carbonate In acetonitrile Reflux;	13.6 g

: 38771-21-0
4-bromobut-1-yne

: 3,5-bis(pentafluorosulfanyl)phenyl azide

: 1-(3,5-bis(pentafluorosulfanyl)phenyl)-4-(2-bromoethyl)-1H-1,2,3-triazole

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; sodium L-ascorbate; benzoic acid In water; tert-butyl alcohol at 20℃; for 0.333333h; Inert atmosphere;	98%

: 38771-21-0
4-bromobut-1-yne

: 159979-96-1
4-fluorobenzyl azide

: 1251392-43-4
C11H11BrFN3

Conditions

Conditions	Yield
With copper(II) loaded mesoporous SBA-15 In dichloromethane at 20℃; Huisgen Cycloaddition; regioselective reaction;	98%

: 38771-21-0
4-bromobut-1-yne

: (2-methylallyl)zinc bromide*LiCl

: 807329-90-4
(E)-6-chloro-1-iodo-hex-1-ene

: (E)-1-(6-chlorohex-1-en-1-yl)-2-(2-methylallyl)cyclobut-1-ene

Conditions

Conditions	Yield
Stage #1: 4-bromobut-1-yne With n-butyllithium In tetrahydrofuran at -78 - -30℃; for 0.333333h; Inert atmosphere; Stage #2: (2-methylallyl)zinc bromide*LiCl In tetrahydrofuran at -30 - 20℃; for 1h; Inert atmosphere; Stage #3: (E)-6-chloro-1-iodo-hex-1-ene With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	98%

...Expand

: 38771-21-0
4-bromobut-1-yne

: 70978-37-9
1-(azidomethyl)-4-methoxybenzene

: 1431946-51-8
1-methoxybenzyl-5-vinyl-(1H)-1,2,3-triazole

Conditions

Conditions	Yield
Stage #1: 4-bromobut-1-yne; 1-(azidomethyl)-4-methoxybenzene With pentamethylcyclopentadienyl bis(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 60℃; for 12h; Inert atmosphere; Green chemistry; Stage #2: With sodium hydroxide In 1,4-dioxane; ethanol; water at 45℃; for 8h; Reagent/catalyst; Inert atmosphere; Green chemistry;	97%

: 38771-21-0
4-bromobut-1-yne

: 766-05-2
cyclohexane carbonitrile

: 1-(but-3-yn-1-yl)cyclohexane-1-carbonitrile

Conditions

Conditions	Yield
Stage #1: cyclohexane carbonitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: 4-bromobut-1-yne In tetrahydrofuran; hexane at -78 - 24℃; for 14h; Inert atmosphere;	97%

: 38771-21-0
4-bromobut-1-yne

: 115-46-8
C18H21NO

A: azacyclonol hydrobromide

B: 476468-82-3
C22H25NO

Conditions

Conditions	Yield
In tetrahydrofuran at 68℃; for 20h; Heating / reflux;	A n/a B 96.1%

...Expand

: 38771-21-0
4-bromobut-1-yne

: 7438-05-3
1-azidooctane

: 1248633-72-8
4-(2-bromoethyl)-1-octyl-1H-1,2,3-triazole

Conditions

Conditions	Yield
With copper(II) acetate monohydrate In water at 20℃; regioselective reaction;	96%

: 38771-21-0
4-bromobut-1-yne

: C12H15NO2

: C16H19NO2

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetonitrile Inert atmosphere; Reflux;	96%

: 38771-21-0
4-bromobut-1-yne

: 2965-22-2
methyl 2-fluoro-5-nitro-benzoate

: methyl 2-(2-cyanoethylamino)-5-nitrobenzoate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 0 - 70℃; for 5h;	96%

: 75-77-4
chloro-trimethyl-silane

: 38771-21-0
4-bromobut-1-yne

: 69361-41-7
4-bromo-1-trimethylsilylbut-1-yne

Conditions

Conditions	Yield
Stage #1: 4-bromobut-1-yne With n-butyllithium In diethyl ether; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In diethyl ether; hexane at -78 - 20℃; Inert atmosphere;	95%
With n-butyllithium Multistep reaction;
With n-butyllithium 1) THF, n-hexane, -70 deg C, 4 h, 2) room temperature, 20 h; Yield given. Multistep reaction;

: 38771-21-0
4-bromobut-1-yne

: 1314581-66-2
4-(2-azidoethyl)-1-[2-(1-octyl-1H-1,2,3-triazol-4-yl)ethyl]-1H-1,2,3-triazole

: 1314581-68-4
4-{2-[4-(2-bromoethyl)-1H-1,2,3-triazol-1-yl]ethyl}-1-[2-(1-octyl-1H-1,2,3-triazol-4-yl)ethyl]-1H-1,2,3-triazole

Conditions

Conditions	Yield
With copper(II) acetate monohydrate In water at 20℃; regioselective reaction;	95%

: 38771-21-0
4-bromobut-1-yne

: 70978-37-9
1-(azidomethyl)-4-methoxybenzene

: 1270874-89-9
1-methoxybenzyl-4-bromoethyl-(1H)-1,2,3-triazole

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; sodium L-ascorbate In ethanol; water at 25℃; for 12h; Reagent/catalyst; Temperature; Concentration; Green chemistry;	95%

: 38771-21-0
4-bromobut-1-yne

: 2891-59-0
3-methylbenzo[g]pteridine-2,4(1H,3H)-dione

: 1-(but-3-ynyl)-3-methylalloxazine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 24h; Inert atmosphere;	95%

: 38771-21-0
4-bromobut-1-yne

: imino({[3-({4-[2-methoxy-4-(piperazin-1-yl)phenyl]-1,3,5-triazin-2-yl}amino)phenyl]methyl})methyl-λ6-sulfanone

: C26H31N7O2S

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 78℃; for 4h;	95%

: 38771-21-0
4-bromobut-1-yne

: 622-79-7
benzyl azide

: 1250525-60-0
1-benzyl-4-(2-bromoethyl)-1H-1,2,3-triazole

Conditions

Conditions	Yield
With [5-(3-butylimidazol-2-yliden-1-yl)-25,26,27,28-tetrapropyloxycalix[4]arene]copper bromide In neat (no solvent) at 20℃; for 4h; Inert atmosphere;	94%
With copper(l) iodide In glycerol at 20℃; for 7h; Green chemistry;	93%
With copper(II) acetate monohydrate In water at 20℃; regioselective reaction;	89%

: 553-26-4
4,4'-bipyridine

: 38771-21-0
4-bromobut-1-yne

: C18H18N2(2+)*2Br(1-)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 48h;	94%

: 38771-21-0
4-bromobut-1-yne

: thioxo-1,2,4-triazino (18α)-19β,28-epoxyoleanane

: 3-(but-1-ynesulfanyl)-1,2,4-triazino (18α)-19β,28-epoxyoleanane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 18h;	94%

: 15258-46-5
N-allyl-p-toluidine

: 38771-21-0
4-bromobut-1-yne

: C14H17N

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetonitrile Inert atmosphere; Reflux;	94%

: 38771-21-0
4-bromobut-1-yne

: 1516-59-2
3-nitrophenyl azide

: C10H9BrN4O2

Conditions

Conditions	Yield
With copper(l) iodide In acetonitrile	94%

: 38771-21-0
4-bromobut-1-yne

: 73900-14-8
1-bromo-4-(diazomethyl)benzene

: 1-bromo-4-(5-bromopenta-1,2-dien-1-yl)benzene

Conditions

Conditions	Yield
Stage #1: 4-bromobut-1-yne With copper(l) iodide; triethylamine In 1,4-dioxane for 0.166667h; Flow reactor; Stage #2: 1-bromo-4-(diazomethyl)benzene In 1,4-dioxane; dichloromethane at 20℃; for 0.166667h; Flow reactor;	93%

: 38771-21-0
4-bromobut-1-yne

: 1314581-62-8
4-(2-azidoethyl)-1-octyl-1H-1,2,3-triazole

: 1314581-64-0
4-(2-bromoethyl)-1-[2-(1-octyl-1H-1,2,3-triazol-4-yl)ethyl]-1H-1,2,3-triazole

Conditions

Conditions	Yield
With copper(II) acetate monohydrate In water at 20℃; regioselective reaction;	92%

: 38771-21-0
4-bromobut-1-yne

: 1426338-65-9
C17H18N4O4

: 1426338-67-1
C16H17BrN4O2

Conditions

Conditions	Yield
With copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 30℃; for 0.5h; Sonication;	92%

: 38771-21-0
4-bromobut-1-yne

: 88192-21-6
2-(3-azidopropyl)-1H-isoindolone-1,3(2H)-dione

: 1426338-63-7
C15H15BrN4O2

Conditions

Conditions	Yield
With copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 30℃; for 0.5h; Sonication;	92%

: 38771-21-0
4-bromobut-1-yne

: 106-45-6
para-thiocresol

: 36832-63-0
4-methylphenyl 3-butyn-1-yl sulfide

Conditions

Conditions	Yield
With potassium carbonate In acetone for 6h; Reflux; Inert atmosphere;	92%

: 38771-21-0
4-bromobut-1-yne

: 6C16H36N(1+)*C6H9N4O63P2V3W15(6-)

: 6C16H36N(1+)*C10H14BrN4O63P2V3W15(6-)

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 70℃; for 4h; Inert atmosphere; Darkness;	92%

: 38771-21-0
4-bromobut-1-yne

: (Z)-2-(8-azidooctyl)-1-vinyldiazene 1-oxide

: (Z)-2-{8-[4-(2-bromoethyl)-1H-1,2,3-triazol-1-yl]octyl}-1-vinyldiazene 1-oxide

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In methanol at 20℃;	91%

: 38771-21-0
4-bromobut-1-yne

: 5332-52-5
Undecane-1-thiol

: 3-butynyl-1-(undecyl)sulfane

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 24h; Reflux;	91%

4-Bromo-1-butyne Chemical Properties

Molecule structure of 4-Bromo-1-butyne (CAS NO.38771-21-0):

Systematic Name: 4-Bromobut-1-yne
Molecular Formula: C₄H₅Br
Molecular Weight 132.99 g/mol
CAS Registry Number: 38771-21-0
Index of Refraction: 1.483
Molar Refractivity: 26.14 cm³
Molar Volume: 91.509 cm³
Polarizability: 10.363×10^-24cm³
Surface Tension: 34.904 dyne/cm
Density: 1.453 g/cm³
Storage temp.: Refrigerator
Flash Point: 32.258 °C
Enthalpy of Vaporization: 34.18 kJ/mol
Boiling Point: 118.322 °C at 760 mmHg
Vapour Pressure: 20.004 mmHg at 25 °C
SMILES: BrCCC#C
InChI: InChI=1/C4H5Br/c1-2-3-4-5/h1H,3-4H2
InChIKey: XLYOGWXIKVUXCL-UHFFFAOYAL
Std. InChI: InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2
Std. InChIKey: XLYOGWXIKVUXCL-UHFFFAOYSA-N
Product Categories of 4-Bromo-1-butyne (CAS NO.38771-21-0): Acetylenes; Functionalized Acetylenes

4-Bromo-1-butyne Safety Profile

Hazard Codes: Toxic T
Risk Statements: 10-25-43
R10:Flammable.
R25 :Toxic if swallowed.
R43:May cause sensitization by skin contact.
Safety Statements: 36/37-45
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

4-Bromo-1-butyne Specification

4-Bromo-1-butyne (CAS NO.38771-21-0) is also named as 1-Butyne, 4-bromo-(6CI,9CI) ; 1-Bromo-3-butyne ; 3-Butynyl Bromide .

Product Name

4-BROMO-1-BUTYNE

Synthetic route

4-Bromo-1-butyne Chemical Properties

4-Bromo-1-butyne Safety Profile

4-Bromo-1-butyne Specification

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