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62285-98-7

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Basic Information
CAS No.: 62285-98-7
Name: [(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2,4-pentadien-1-yl](triphenyl)phosphonium bromide
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 62285-98-7 ([(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2,4-pentadien-1-yl](triphenyl)phosphonium bromide)
Formula: C33H38BrP
Molecular Weight: 545.542
Synonyms: Phosphonium,[(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-,bromide (9CI);Phosphonium,[3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-,bromide, (E,E)-;
EINECS: 1312995-182-4
PSA: 13.59000
LogP: 5.01360
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Synthetic route
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(1E)-1-(2,6,6-trimethylcyclohex-1-enyl)-3-methyl-1,4-pentadien-3-ol

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triphenylphosphine hydrobromide

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
In methanol for 75h; Ambient temperature;100%
In methanol at 20℃; for 20h;73%
In tetrahydrofuran
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3-methyl-5-bromo-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-pentadiene

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triphenylphosphine

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
In acetonitrile at 50 - 55℃; for 5h; Inert atmosphere;92.8%
In acetonitrile at 50 - 55℃; for 5h; Inert atmosphere;92.1%
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(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadien-1-ol

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triphenylphosphine hydrobromide

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
In methanol for 17h; Ambient temperature;
6399-81-1

triphenylphosphine hydrobromide

Acetic acid (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-penta-2,4-dienyl ester

A

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

B

β-ionylidenetriphenylphosphonium bromide

Conditions
ConditionsYield
Stage #1: Acetic acid (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-penta-2,4-dienyl ester With lithium aluminium tetrahydride
Stage #2: triphenylphosphine hydrobromide
...Expand
79-77-6

(E)-β-ionone

1826-67-1

vinyl magnesium bromide

6399-81-1

triphenylphosphine hydrobromide

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
Stage #1: (E)-β-ionone; vinyl magnesium bromide
Stage #2: triphenylphosphine hydrobromide Further stages.;
...Expand
79-77-6

(E)-β-ionone

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / tetrahydrofuran / 20 h / 20 °C
2: 73 percent / methanol / 20 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 94 percent / tetrahydrofuran / 14 h / Ambient temperature
2: 100 percent / methanol / 75 h / Ambient temperature
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydride / tetrahydrofuran / 24 h / 20 °C
2.1: lithium aluminium tetrahydride / diethyl ether / 0.5 h / 0 °C
2.2: 24 h / 20 °C
View Scheme
17974-55-9

(2E,4E)-ethyl 3-methyl-5-(2,6,6-trimethylcyclohex-1-enyl)penta-2,4-dienoate

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: LiAlH4 / diethyl ether / 0.25 h / Ambient temperature
2: methanol / 17 h / Ambient temperature
View Scheme

[5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2-penten-4-ynyl]triphenylphosphonium bromide

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2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol

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nickel

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
In methanol; dichloromethane; ethyl acetate
...Expand
17974-55-9

(2E,4E)-ethyl 3-methyl-5-(2,6,6-trimethylcyclohex-1-enyl)penta-2,4-dienoate

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triphenylphosphine hydrobromide

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
Stage #1: (2E,4E)-ethyl 3-methyl-5-(2,6,6-trimethylcyclohex-1-enyl)penta-2,4-dienoate With lithium aluminium tetrahydride In diethyl ether at 0℃; for 0.5h;
Stage #2: triphenylphosphine hydrobromide In methanol at 20℃; for 24h;
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2-(bromomethyl)-1,3,3-trimethylcyclohex-1-ene

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hexane / 4 h / 50 - 55 °C / Inert atmosphere
2.1: potassium hydroxide / isopropyl alcohol / 1 h / -5 - 5 °C / Inert atmosphere
3.1: sodium hydroxide / water; dichloromethane / 3 h / 15 - 20 °C
3.2: 3 h / 20 - 25 °C
4.1: acetonitrile / 5 h / 50 - 55 °C / Inert atmosphere
View Scheme
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Specification

[(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl](triphenyl)phosphonium bromide, with the CAS registry number 62285-98-7, is also named as Phosphonium, [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]triphenyl-, bromide (1:1). This chemical's molecular formula is C33H38BrP and molecular weight is 545.53. What's more, its systematic name is [(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl](triphenyl)phosphonium bromide.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].C(/C1=C(/CCCC1(C)C)C)=C\C(=C\C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)C
(2)Std. InChI: InChI=1S/C33H38P.BrH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+;
(3)Std. InChIKey: WZGAXXYWWOUQHF-IUKQBHTCSA-M