Product Name

  • Name

    1-(5-bromofur-2-il)-2-bromo-2-nitroethene

  • EINECS
  • CAS No. 35950-55-1
  • Article Data5
  • CAS DataBase
  • Density 2.141 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H3Br2NO3
  • Boiling Point 305.233 °C at 760 mmHg
  • Molecular Weight 296.903
  • Flash Point 138.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 35950-55-1 (1-(5-bromofur-2-il)-2-bromo-2-nitroethene)
  • Hazard Symbols
  • Synonyms 2-Bromo-5-(2-bromo-2-nitrovinyl)furan;
  • PSA 58.96000
  • LogP 3.53530

Synthetic route

β-<5-Brom-furyl-2>-α,β-dibrom-nitro-ethylen

β-<5-Brom-furyl-2>-α,β-dibrom-nitro-ethylen

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

Conditions
ConditionsYield
With potassium acetate In ethanol at 18 - 20℃; for 0.166667h;68%
5-bromo-2-furancarboxaldehyde
1899-24-7

5-bromo-2-furancarboxaldehyde

bromonitromethane
563-70-2

bromonitromethane

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

Conditions
ConditionsYield
Stage #1: 5-bromo-2-furancarboxaldehyde; bromonitromethane at 20℃; for 5h;
Stage #2: With acetic anhydride In ethyl acetate at 20℃; for 1.5h;		31%
2-[(E)-2-nitroethenyl]furan
699-18-3, 32782-45-9

2-[(E)-2-nitroethenyl]furan

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

Conditions
ConditionsYield
Stage #1: 2-[(E)-2-nitroethenyl]furan With bromine In acetic acid
Stage #2: With pyridine In acetic acid Further stages.;
furfural
98-01-1

furfural

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: NaOH / H2O
2.1: Br2 / acetic acid
2.2: pyridine / acetic acid
View Scheme
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

3,5-dimethylphenyl boronic acid
172975-69-8

3,5-dimethylphenyl boronic acid

C14H12BrNO3

C14H12BrNO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;93%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

phenylboronic acid
98-80-6

phenylboronic acid

C12H8BrNO3
918429-23-9

C12H8BrNO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;90%
thiophene boronic acid
6165-68-0

thiophene boronic acid

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C10H6BrNO3S

C10H6BrNO3S

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 8h; Suzuki reaction;87%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

(4-ethoxyphenyl)boronic acid
22237-13-4

(4-ethoxyphenyl)boronic acid

C22H21NO5

C22H21NO5

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; Suzuki reaction;87%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

3,5-dimethylphenyl boronic acid
172975-69-8

3,5-dimethylphenyl boronic acid

C22H21NO3

C22H21NO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; Suzuki reaction;86%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

C13H10BrNO3

C13H10BrNO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;84%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

(p-hydroxyphenyl)boronic acid
71597-85-8

(p-hydroxyphenyl)boronic acid

C12H8BrNO4

C12H8BrNO4

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;83%
morpholine
110-91-8

morpholine

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

4-[2-bromo-1-(5-bromofuran-2-yl)-2-nitroethyl]morpholine

4-[2-bromo-1-(5-bromofuran-2-yl)-2-nitroethyl]morpholine

Conditions
ConditionsYield
In ethanol at -8 - -5℃; for 1h;83%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

C20H17NO3

C20H17NO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; Suzuki reaction;82%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

3,4,5-trimethoxyphenylboronic Acid
182163-96-8

3,4,5-trimethoxyphenylboronic Acid

C15H14BrNO6

C15H14BrNO6

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 8h; Suzuki reaction;77%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

1-Naphthylboronic acid
13922-41-3

1-Naphthylboronic acid

C16H10BrNO3

C16H10BrNO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;75%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

4-methoxyphenylboronic acid
5720-07-0

4-methoxyphenylboronic acid

C13H10BrNO4

C13H10BrNO4

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 8h; Suzuki reaction;69%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

4-methoxyphenylboronic acid
5720-07-0

4-methoxyphenylboronic acid

C20H17NO5

C20H17NO5

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; Suzuki reaction;69%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

phenylboronic acid
98-80-6

phenylboronic acid

C18H13NO3

C18H13NO3

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; Suzuki reaction;67%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

(4-ethoxyphenyl)boronic acid
22237-13-4

(4-ethoxyphenyl)boronic acid

2-[(Z)-2-bromo-2-nitrovinyl]-5-(4-ethoxyphenyl)furan

2-[(Z)-2-bromo-2-nitrovinyl]-5-(4-ethoxyphenyl)furan

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 8h; Suzuki reaction;67%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

2-Methoxyphenylboronic acid
5720-06-9

2-Methoxyphenylboronic acid

C20H17NO5

C20H17NO5

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; Suzuki reaction;64%
thiophene boronic acid
6165-68-0

thiophene boronic acid

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C14H9NO3S2

C14H9NO3S2

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; Suzuki reaction;42%
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C22H15NO3

C22H15NO3

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 8 h / 90 °C
2: 63 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 90 °C
View Scheme
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C20H17NO3

C20H17NO3

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 8 h / 90 °C
2: 74 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 90 °C
View Scheme
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C19H15NO3

C19H15NO3

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 8 h / 90 °C
2: 79 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 90 °C
View Scheme
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C19H15NO4

C19H15NO4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 8 h / 90 °C
2: 75 percent / K3PO4 / Pd(PPh3)4 / dioxane; H2O / 90 °C
View Scheme
(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene
35950-55-1

(Z)-1-bromo-2-(5-bromofuran-2-yl)-1-nitroethene

C16H11NO3S

C16H11NO3S

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 8 h / 90 °C
2: 57 percent / K3PO4 / Pd(PPh3)4 / toluene; H2O / 90 °C
View Scheme

1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene Specification

The 1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene, with the CAS registry number 35950-55-1, is also known as Furan, 2-bromo-5-(2-bromo-2-nitroethenyl)-. This chemical's molecular formula is C6H3Br2NO3 and molecular weight is 296.90. What's more, its systematic name is 2-Bromo-5-(2-bromo-2-nitrovinyl)furan. Its classification code is Mutation data.

Physical properties of 1-(5-Bromofur-2-yl)-2-bromo-2-nitroethene are: (1)ACD/LogP: 2.158; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.70; (6)ACD/BCF (pH 7.4): 25.70; (7)ACD/KOC (pH 5.5): 355.47; (8)ACD/KOC (pH 7.4): 355.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.96 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 51.097 cm3; (15)Molar Volume: 138.643 cm3; (16)Polarizability: 20.256×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 2.141 g/cm3; (19)Flash Point: 138.4 °C; (20)Enthalpy of Vaporization: 52.387 kJ/mol; (21)Boiling Point: 305.233 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C(=C\c1oc(Br)cc1)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3-
(3)Std. InChIKey: MJPPGVVIDGQOQT-HYXAFXHYSA-N

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