1-Butene, 1-bromo- supplier | CasNO.31844-98-1

Name
1-BROMO-1-BUTENE
EINECS 250-836-7
CAS No. 31844-98-1
Article Data8
CAS DataBase
Density 1.331 g/cm³
Solubility
Melting Point -115.07°C (estimate)
Formula C₄H₇Br
Boiling Point 94.7 °C at 760 mmHg
Molecular Weight 135.004
Flash Point 14.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-1-butene;1-Bromo-3-methylallene;(1E)-1-bromobut-1-ene;1-Bromobut-1-ene;1-Butene, 1-bromo-, (E)-;
PSA 0.00000
LogP 2.30500

Synthetic route

: 626-98-2, 13991-37-2, 16666-42-5
pent-2-enoic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; tetraethylammonium bromide In dichloromethane at 20℃; for 10h;	90%

2.3-dibromo-n-valeric acid: 2.3-dibromo-n-valeric acid

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B α-bromo-β-ethyl-acrylic acid: α-bromo-β-ethyl-acrylic acid

Conditions

Conditions	Yield
With pyridine

: 79912-57-5
acide dibromo-2,3 pentanoique

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B: 98021-78-4
2-bromo-pent-2-enoic acid

Conditions

Conditions	Yield
With pyridine

: 3675-68-1
butane, 1,1,2-tribromo-

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
With ethanol; zinc higher-boiling 1-bromo-butene-(1);
With ethanol; zinc lower-boiling 1-bromo-butene-(1);

: 123-72-8
butyraldehyde

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
With phosphorus trichloride dibromide; sodium ethanolate

: 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B higher-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1): higher-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1)

Conditions

Conditions	Yield
With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; lower-boiling 1-bromo-butene-(1);

: 533-98-2, 130232-89-2, 130232-90-5
1,2-dibromobutane

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B lower-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1): lower-boiling 1-bromo-buten-(1) and 2-bromo-butene-(1)

Conditions

Conditions	Yield
With ethanol; sodium phenoxide man trennt das Isomeren-Gemisch durch fraktionierte Destillation mit Alkohol, Zerlegung der erhaltenen Azeotropen mit Wasser und nochmalige Destillation; higher-boiling 1-bromo-butene-(1);

: 13991-37-2
trans-2-pentenoic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
(i) Br2, (UV-irradiation), (ii) (heating in Py); Multistep reaction;

: 110-86-1
pyridine

: 79912-57-5
acide dibromo-2,3 pentanoique

A: 31844-98-1
(E)/(Z)-1-bromo-1-butene

B 2-bromo-Δ2-pentenoic acid: 2-bromo-Δ2-pentenoic acid

...Expand

: 75-16-1
methylmagnesium bromide

: 627-15-6
1,3-dibromopropene

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
higher-boiling 1-bromo-butene-(1);

: 123-72-8
butyraldehyde

PCl3Br2: PCl3Br2

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

Conditions

Conditions	Yield
Behandeln des Reaktionsprodukts mit Natriumaethylat;

: 2482-57-7
1-bromo-2-butanol

phosphorus pentoxide: phosphorus pentoxide

A: 4784-77-4, 29576-14-5, 39616-19-8
(E/Z)-crotyl bromide

B: 31844-98-1
(E)/(Z)-1-bromo-1-butene

...Expand

: 60-29-7
diethyl ether

: 75-16-1
methylmagnesium bromide

: 627-15-6
1,3-dibromopropene

A: 34557-54-5
methane

B: 31844-98-1
(E)/(Z)-1-bromo-1-butene

C: 74-84-0
ethane

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

Conditions

Conditions	Yield
Produkt5: Octadien-(2.6);

...Expand

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 125975-53-3, 147220-48-2, 116996-54-4
(2S)-O-(tert-butyldiphenylsilyl)-1,2-epoxybutan-4-ol

: (R)-1-((tert-butyldiphenylsilyl)oxy)oct-7-en-3-ol

Conditions

Conditions	Yield
Stage #1: (E)/(Z)-1-bromo-1-butene With magnesium; ethylene dibromide In tetrahydrofuran Grignard Reaction; Reflux; Inert atmosphere; Stage #2: (2S)-O-(tert-butyldiphenylsilyl)-1,2-epoxybutan-4-ol With copper(l) iodide In tetrahydrofuran at -78 - 0℃; for 1.08333h; Cooling with acetone-dry ice;	99%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1776-30-3, 25515-43-9
2',4'-dihydroxychalcone

: C19H18O3

Conditions

Conditions	Yield
With potassium carbonate In acetone at 25 - 30℃; Irradiation;	87.5%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1776-30-3, 25515-43-9
2',4'-dihydroxychalcone

: C23H24O3

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25 - 30℃; Irradiation;	85.6%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 30043-41-5
(hex-5-enyl)magnesium bromide

: 92230-34-7
deca-3,9-diene

Conditions

Conditions	Yield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 30℃;	79.5%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1066-54-2
trimethylsilylacetylene

: 60216-44-6
(E)-1-trimethylsilyl-3-hexen-1-yne

Conditions

Conditions	Yield
Stage #1: trimethylsilylacetylene With ethylmagnesium bromide In tetrahydrofuran at 65℃; for 1h; Substitution; Stage #2: With zinc(II) chloride In tetrahydrofuran at 20℃; for 0.5h; Transmetallation; Stage #3: (E)/(Z)-1-bromo-1-butene; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 58h; Cross-coupling;	66%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 927-77-5
n-propylmagnesium bromide

: 14686-14-7
trans-3-heptene

Conditions

Conditions	Yield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 30℃;	61%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 34164-50-6
4-penten-1-ylmagnesium bromide

: 60024-69-3
trans nona-1,3-diene

Conditions

Conditions	Yield
palladium dichloride In tetrahydrofuran at 30℃;	57%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 7348-75-6
3,5-Octadiene

Conditions

Conditions	Yield
With [2,2]bipyridinyl; (2,2'-bipyridine)nickel(II) dibromide In various solvent(s) at 20℃; electrochemical reaction, magnesium anode, gold gauze cathode, -1,2 V;	50%

: 64-18-6
formic acid

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 13991-37-2
trans-2-pentenoic acid

Conditions

Conditions	Yield
With palladium diacetate; acetic anhydride; triethylamine; 1,4-di(diphenylphosphino)-butane In N,N-dimethyl-formamide at 100℃; Inert atmosphere; Schlenk technique;	39%

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 107-00-6
but-1-yne

Conditions

Conditions	Yield
With potassium hydroxide; ethanol at 180℃;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 1,1,2-tribromo-3-methoxy-propane

Conditions

Conditions	Yield
With bromine

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 24863-41-0
tris(1-butenyl)boroxine

Conditions

Conditions	Yield
(i) Mg, (ii) B(OMe)3, (iii) phenothiazine; Multistep reaction;

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 29444-46-0
2-methyl-6-n-propylpyrazine

A: 83568-49-4
cis-3-methyl-5-n-propyl-2-(1-butenyl)-pyrazine

B: 83568-51-8
trans-3-methyl-5-n-propyl-2-(1-butenyl)-pyrazine

C: 83568-47-2
cis-5-methyl-3-n-propyl-2-(1-butenyl)-pyrazine

D: 83568-50-7
trans-5-methyl-3-n-propyl-2-(1-butenyl)-pyrazine

Conditions

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran; diethyl ether; pentane 1.) -78 deg C, 15 min; 2.) r.t., 20 min; Title compound not separated from byproducts;

...Expand

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 53596-78-4
11-dodecyn-1-yl acetate

A: 78617-58-0
(Z)-13-hexadecene-11-yn-1-yl acetate

B: 78617-59-1
(E)-13-hexadecene-11-yn-1-yl acetate

Conditions

Conditions	Yield
With propylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) 1.) benzene, 2.) 16 h, RT; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 67-66-3
chloroform

: 7726-95-6
bromine

: 3675-68-1
butane, 1,1,2-tribromo-

Conditions

Conditions	Yield
lower-boiling 1-bromo-butene-(1);
higher-boiling 1-bromo-butene-(1);

...Expand

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

: 7726-95-6
bromine

1-bromo-butene-(1) higher-boiling form: 1-bromo-butene-(1) higher-boiling form

Conditions

Conditions	Yield
am Sonnenlicht; Gleichgewicht.Irradiation; lower-boiling 1-bromo-butene-(1);

: 31844-98-1
(E)/(Z)-1-bromo-1-butene

alcoholic KOH-solution: alcoholic KOH-solution

A: 107-00-6
but-1-yne

B: 10035-10-6, 12258-64-9
hydrogen bromide

Conditions

Conditions	Yield
at 120 - 125℃; lower-boiling 1-bromo-butene-(1);
at 120 - 125℃; higher-boiling 1-bromo-butene-(1);

...Expand

1-Butene, 1-bromo- Specification

The 1-Butene, 1-bromo-, with the CAS registry number 31844-98-1 and EINECS registry number 250-836-7, has the systematic name and IUPAC name of (1E)-1-bromobut-1-ene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄H₇Br.

The characteristics of 1-Butene, 1-bromo- are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 0 Å²; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 28.36 cm³; (9)Molar Volume: 101.3 cm³; (10)Polarizability: 11.24×10^-24cm³; (11)Surface Tension: 26.8 dyne/cm; (12)Density: 1.331 g/cm³; (13)Flash Point: 14.5 °C; (14)Enthalpy of Vaporization: 32.05 kJ/mol; (15)Boiling Point: 94.7 °C at 760 mmHg; (16)Vapour Pressure: 53.4 mmHg at 25°C.

Uses of 1-Butene, 1-bromo-: It can react with propylmagnesium bromide to produce hept-3t-ene. This reaction will need catalyst PdCl₂(dppf), and the menstruum tetrahydrofuran. The temperature is 30°C, and the yield is about 61%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br[C@H]=CCC
(2)InChI: InChI=1/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+
(3)InChIKey: IUXHPSPHPKXTPA-ONEGZZNKBB

Product Name

1-BROMO-1-BUTENE

Synthetic route

1-Butene, 1-bromo- Specification

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