2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)- supplier

Name
(E,E,E)-2,7-dimethylocta-2,4,6-trienedial
EINECS 225-756-0
CAS No. 5056-17-7
Article Data34
CAS DataBase
Density 0.973 g/cm³
Solubility
Melting Point 162-163.5℃ (methanol )
Formula C₁₀H₁₂O₂
Boiling Point 303.3 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 113.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Octatrienedial,2,7-dimethyl-, (E,E,E)- (8CI,9CI);(E,E,E)-2,7-Dimethyl-2,4,6-octatrien-1,8-dial;(E,E,E)-2,7-Dimethylocta-2,4,6-trienedial;(all-E)-2,7-Dimethyl-2,4,6-octatrienedial;12,12'-Di-apo-carotenedial;all-E-2,7-Dimethylocta-2,4,6-triene-1,8-dial;all-trans-2,7-Dimethyl-2,4,6-octatrienedial;
PSA 34.14000
LogP 1.83300

Synthetic route

: 209615-09-8
2,2'-(1,6-Dimethyl-1,3,5-hexatrienylen)bis(5,5-dimethyl-1,3-dioxan)

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran at 20℃; for 2h; Hydrolysis;	94%

: 8,8-Dimethoxy-2,7-dimethylocta-2,4,6-trien-1-al

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With hydrogenchloride In acetone for 0.166667h; Ambient temperature;	92%

: 128759-95-5
(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran at 45℃; for 3h;	90%

: 1,8-diethoxy-1,3,6,8-tetramethoxy-2,7-dimethyl-4-octene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With sodium acetate; acetic acid In water at 95℃;	85%

: 7319-16-6
methyl prop-1-enyl ether

: 5370-08-1
1,1,4,4-tetramethoxy-2-butene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Stage #1: methyl prop-1-enyl ether; 1,1,4,4-tetramethoxy-2-butene With iron(III) chloride In toluene at 25℃; for 6h; Stage #2: With sulfuric acid; water In toluene at 80℃; for 5 - 8h; Stage #3: With water; sodium hydrogencarbonate In toluene at 80 - 85℃; for 3 - 4h; Product distribution / selectivity;	83.6%

: 106484-89-3
(E)-3-iodo-2-methylprop-2-enal

: (2E,4E)-2-methyl-5-(tributylstannyl)-2,4-pentadien-1-al

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With triphenyl-arsane; tris-(dibenzylideneacetone)dipalladium(0) In 1-methyl-pyrrolidin-2-one at 25℃;	80%

: 113951-62-5
(2E,4E,6E)-2,6-dimethylocta-2,4,6-triene-1,8-diol

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With manganese(IV) oxide In acetone at 0 - 20℃;	73%
With manganese(IV) oxide In acetone at 0℃;	58%
With manganese(IV) oxide In acetone at 0℃;	26%

hydrogen bis(oxalato)borate: hydrogen bis(oxalato)borate

: 4188-68-5
methyl (Z)-prop-1-enyl ether

: 6068-62-8
trans-butenedial bis-(dimethyl acetal)

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water	67%

...Expand

: 2,7-dimethyl-2,4,6-octatrienedial

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With p-toluene sulfinic acid In 1,4-dioxane for 0.25h; Heating / reflux;	66%
With toluene-4-sulfonic acid In 1,4-dioxane for 0.25h; Product distribution / selectivity; Heating / reflux;	66%
With toluene-4-sulfonic acid In 1,4-dioxane for 0.25h; Inert atmosphere; Reflux;	16%

: 1,1,8,8-tetramethoxy-2,7-dimethyl-2,4,6-octatriene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water at 45 - 54℃; for 3h; Product distribution / selectivity;	58.8%
Multi-step reaction with 2 steps 1: acetic acid / water; tetrahydrofuran / 45 °C / Inert atmosphere 2: toluene-4-sulfonic acid / 1,4-dioxane / 0.25 h / Inert atmosphere; Reflux View Scheme
With acetic acid In tetrahydrofuran; water at 45 - 54℃; for 3.5h;	10.75 g

: 209615-09-8
2,2'-(1,6-Dimethyl-1,3,5-hexatrienylen)bis(5,5-dimethyl-1,3-dioxan)

A: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

B: 80713-45-7
7-(5,5-Dimethyl-1,3-dioxan-2-yl)-2,7-dimethyl-2,4,6-octatrienal

Conditions

Conditions	Yield
With hydrogenchloride In methanol; dichloromethane for 0.0333333h; Ambient temperature; Yields of byproduct given;	A n/a B 37%

: 6342-56-9
Pyruvic aldehyde dimethyl acetal

: 1112-96-5, 16626-80-5, 56727-14-1
tetraethyl (E)-2-butene-1,4-diphosphonate

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Stage #1: Pyruvic aldehyde dimethyl acetal; tetraethyl (E)-2-butene-1,4-diphosphonate With sodium hydride In tetrahydrofuran at 0 - 60℃; for 3h; Inert atmosphere; Cooling with ice; Stage #2: With sulfuric acid In tetrahydrofuran; water at 0 - 50℃; for 2.5h;	35%

: 29146-49-4
2,7-dimethyl-octa-2,6-diene-1,8-diol

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With manganese(IV) oxide; chloroform

: 181963-79-1
2,7-dimethyl-octa-2t,4c,6t-trienedial

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With benzene
With iodine; Petroleum ether; benzene

: 181963-79-1
2,7-dimethyl-octa-2t,4c,6t-trienedial

: 71-43-2
benzene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

1,1,3,6,8,8-hexaethoxy-2,7-dimethyl-oct-4t(?)-ene: 1,1,3,6,8,8-hexaethoxy-2,7-dimethyl-oct-4t(?)-ene

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
With 1,4-dioxane; phosphoric acid; hydroquinone at 100℃;
With water; acetic acid; ethyl acetate at 100℃; in Gegenwart von Hydrochinon;

: 29146-49-4
2,7-dimethyl-octa-2,6-diene-1,8-diol

: 67-66-3
chloroform

manganese (IV)-oxide: manganese (IV)-oxide

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

...Expand

: 181963-79-1
2,7-dimethyl-octa-2t,4c,6t-trienedial

: 7553-56-2
iodine

: 71-43-2
benzene

petroleum ether: petroleum ether

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
mit Licht.Irradiation;

...Expand

: 62285-88-5
4-chloro-2-methyl-2-buten-1-al neopentyl acetal

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C 2: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C 3: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 4: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

: 26394-25-2
(E)-4-chloro-2-methylbut-2-enal

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 75 percent / p-TsOH / benzene / 3 h / Heating 2: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C 3: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C 4: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 5: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

: 1838-94-4
isoprene epoxide

2-ThNNa*CuCN*C5H4NCH2Li: 2-ThNNa*CuCN*C5H4NCH2Li

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 30.1 g / CuCl2; LiCl / ethyl acetate / 0.5 h / 80 °C 2: 75 percent / p-TsOH / benzene / 3 h / Heating 3: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C 4: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C 5: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 6: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: 30.1 g / CuCl2; LiCl / ethyl acetate / 0.5 h / 80 °C
2: 75 percent / p-TsOH / benzene / 3 h / Heating
3: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C
4: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C
5: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C
6: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C
View Scheme

: 251291-86-8
bis(3-formyl-3-methyl-2-propenyl) sulfide dineopentyl diacetal

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C 2: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 3: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

: 251291-85-7
bis(3-formyl-3-methyl-2-propenyl) sulfone dineopentyl diacetal

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 2: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

: 78-79-5
isoprene

tricarbonyl(η6-1,3,5-cyclooctatriene)chromium(O): tricarbonyl(η6-1,3,5-cyclooctatriene)chromium(O)

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: N-bromosuccinamide; water / 10 h 1.2: NaOH / H2O / 1 h / 20 °C 2.1: 30.1 g / CuCl2; LiCl / ethyl acetate / 0.5 h / 80 °C 3.1: 75 percent / p-TsOH / benzene / 3 h / Heating 4.1: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C 5.1: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C 6.1: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C 7.1: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C View Scheme

Yield

Multi-step reaction with 7 steps
1.1: N-bromosuccinamide; water / 10 h
1.2: NaOH / H2O / 1 h / 20 °C
2.1: 30.1 g / CuCl2; LiCl / ethyl acetate / 0.5 h / 80 °C
3.1: 75 percent / p-TsOH / benzene / 3 h / Heating
4.1: 95 percent / Na2S*9H2O / methanol / 10 h / 20 °C
5.1: 80 percent / urea-hydrogen peroxide; phthalic anhydride / acetonitrile / 1 h / 0 °C
6.1: 82 percent / KOH / 2-methyl-propan-2-ol; CCl4 / 5 h / 20 °C
7.1: 94 percent / HCl / tetrahydrofuran / 2 h / 20 °C
View Scheme

: 99968-60-2, 27652-16-0
methyl (E)-4-bromo-2-methylbut-2-enoate

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: copper-zinc; tetrahydrofuran / Erwaermen des Produkts mit N-Brom-succinimid und wenig Dibenzoylperoxid in Tetrachlormethan unter Belichtung und Erhitzen des erhaltenen Produkts mit 2,4,6-Trimethyl-pyridin und wenig 2,4-Dimethyl-pyridin 2: lithium alanate; diethyl ether 3: acetone; manganese (IV)-oxide View Scheme

: 53163-61-4
(1E,5E)-1,6-dimethyl-1,6-diformyl-1,5-hexadiene-3-yne

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Lindlar-catalyst; methanol / Hydrogenation 2: iodine; benzene; petroleum ether View Scheme

: 113951-62-5
2,7-dimethyl-octa-2ξ,4c,6ξ-triene-1,8-diol

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetone; manganese (IV)-oxide / unter Lichtausschluss 2: iodine; benzene; petroleum ether View Scheme

: 84695-32-9
dimethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-triene-1,8-dioate

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium alanate; diethyl ether 2: acetone; manganese (IV)-oxide View Scheme
Multi-step reaction with 2 steps 1: diisobutylaluminium hydride / tetrahydrofuran; hexane / 1 h / -78 - -20 °C / Inert atmosphere 2: manganese(IV) oxide; sodium carbonate / acetone / 0 - 25 °C / Inert atmosphere View Scheme

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 208597-43-7
4'-((diphenylphosphinoyl)methylene)-2,2':6',2''-terpyridine

: C42H34N6

Conditions

Conditions	Yield
With lithium diisopropyl amide	98%

: Br(1-)*C41H48O2PS(1+)

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: C54H72O4S2

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water at 20℃; for 10h;	98%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 59057-30-6
(1E)-1-(2,6,6-trimethylcyclohex-1-enyl)-3-methyl-1,4-pentadien-3-ol

: 603-35-0
triphenylphosphine

: 7235-40-7
beta-carotene

Conditions

Conditions	Yield
Stage #1: (1E)-1-(2,6,6-trimethylcyclohex-1-enyl)-3-methyl-1,4-pentadien-3-ol; triphenylphosphine With hydrogenchloride In methanol; water at 45℃; for 1h; Stage #2: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial With 1,2-bis (3-methylimidazolium-1-yl) ethane dihydroxide; sodium carbonate In methanol; water at 20℃; for 3h; Reagent/catalyst; Temperature; Wittig Olefination; Inert atmosphere;	95%

...Expand

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <5-((S)-4-Hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

A: 472-61-7
(3S,3'S)-astaxanthin

B: 71772-51-5
(3R,3'S)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

Conditions

Conditions	Yield
With sodium methylate In methanol at 0 - 25℃; for 4h;	A 94.6% B 4.2 % Chromat.
In various solvent(s) for 20h; Heating;	A 97.7 % Chromat. B 2.1 % Chromat.

...Expand

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: C19H31O4P

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With sodium t-butanolate In dimethyl sulfoxide; toluene at -20℃; for 6h; Reagent/catalyst; Temperature; Solvent;	92.1%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 83020-78-4
<(2'E,4'E)-5'-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3'-methyl-2',4'-pentadienyl>triphenylphosphonium chloride

: 143077-43-4
3-oxo-12'-apo-ε-caroten-12'-al

Conditions

Conditions	Yield
With sodium methylate In methanol; dichloromethane at -20℃;	92%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <5-(4'-Hydroxy-2',6',6'-trimethyl-3'-oxo-1',4'-cyclohexadien-1'-yl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

: 34026-74-9, 58769-83-8
astacene

Conditions

Conditions	Yield
With ethyloxirane	91.3%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <(2E,4E)-5-<(R)-4-hydroxy-2,6,6-trimethylcyclohex-1-enyl>-3-methylpenta-2,4-dienyl>-triphenylphosphonium chloride

: 144-68-3, 3309-19-1, 24502-92-9, 29472-68-2, 31272-50-1, 31272-53-4, 57820-80-1, 60046-54-0, 60497-64-5, 60497-65-6, 72002-36-9, 72580-10-0, 100347-92-0, 100347-97-5, 136656-95-6, 136733-98-7, 136733-99-8, 136734-01-5, 136734-02-6
zeaxanthin

Conditions

Conditions	Yield
With ethyloxirane In ethanol for 20h; Heating;	90%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 53163-55-6
diethyl-10,10'-diapocarotene-10,10'-dioate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃; for 0.5h;	88%

: 72-18-4
L-valine

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: C20H28N2O4(2-)*2Na(1+)

Conditions

Conditions	Yield
With sodium methylate In methanol; toluene Ambient temperature;	87%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 70143-03-2
Z-(3,7-dimethylocta-2,6-dienyl)diphenylphosphine oxide

A: 13832-81-0, 53872-51-8, 70191-51-4, 81738-47-8, 81738-48-9, 89064-90-4, 89064-91-5, 89164-53-4
(6Z,8E,10E,12E,14E,16E,18Z)-2,6,10,15,19,23-hexamethyl-tetracosa-2,6,8,10,12,14,16,18,22-nonaene

B: 53872-51-8
2,6,10,15,19,23-hexamethyl-2,6,8,10,12,14,16,18,22-tetracosanonaene

C: 13832-81-0, 53872-51-8, 70191-51-4, 81738-47-8, 81738-48-9, 89064-90-4, 89064-91-5, 89164-53-4
(6Z,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,8,10,12,14,16,18,22-nonaene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran for 3h; Ambient temperature;	A 86% B n/a C n/a

...Expand

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: C33H38ClOP

: 144-68-3, 3309-19-1, 24502-92-9, 29472-68-2, 31272-50-1, 31272-53-4, 57820-80-1, 60046-54-0, 60497-64-5, 60497-65-6, 72002-36-9, 72580-10-0, 100347-92-0, 100347-97-5, 136656-95-6, 136733-98-7, 136733-99-8, 136734-01-5, 136734-02-6
zeaxanthin

Conditions

Conditions	Yield
With palladium diacetate In ethanol Heating;	85%

: 181963-79-1
2,7-dimethyl-octa-2t,4c,6t-trienedial

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide

: Astaxanthin

Conditions

Conditions	Yield
Stage #1: 2,7-dimethyl-octa-2t,4c,6t-trienedial; (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide In 2-(2-methoxyethoxy)ethyl alcohol; dichloromethane at 21℃; for 0.5h; Wittig Reaction; Stage #2: With sodium methylate In methanol; 2-(2-methoxyethoxy)ethyl alcohol; dichloromethane at 0 - 3℃; for 2.5h; Stage #3: With acetic acid In methanol; 2-(2-methoxyethoxy)ethyl alcohol; dichloromethane at 105 - 107℃; for 4h; Product distribution / selectivity;	84%
Stage #1: 2,7-dimethyl-octa-2t,4c,6t-trienedial; (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide In 2-methoxy-ethanol at 25 - 45℃; for 0.5h; Wittig Reaction; Stage #2: With sodium methylate In methanol; 2-methoxy-ethanol at 25 - 30℃; for 2.16667h; Stage #3: With acetic acid In methanol; 2-methoxy-ethanol at 100℃; for 4h; Product distribution / selectivity;	82.2%
Stage #1: 2,7-dimethyl-octa-2t,4c,6t-trienedial; (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide In 2-(2-methoxyethoxy)ethyl alcohol at 25 - 80℃; for 0.5h; Wittig Reaction; Stage #2: With sodium methylate In methanol; 2-(2-methoxyethoxy)ethyl alcohol at 25 - 30℃; for 2.5h; Stage #3: With acetic acid In methanol; 2-(2-methoxyethoxy)ethyl alcohol at 100℃; for 4h; Product distribution / selectivity;	75.2%
Stage #1: 2,7-dimethyl-octa-2t,4c,6t-trienedial; (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide In 1-methoxy-2-propanol at 25 - 80℃; for 0.5h; Wittig Reaction; Stage #2: With sodium methylate In methanol; 1-methoxy-2-propanol at 25 - 30℃; for 2.16667h; Stage #3: With acetic acid In methanol; 1-methoxy-2-propanol at 100℃; for 4h; Product distribution / selectivity;	70.57%

...Expand

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <(4E)-5-(4-Hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

: 472-61-7, 7542-45-2, 60760-95-4, 64838-38-6, 71772-51-5, 74601-68-6, 111139-31-2, 111139-32-3, 111139-33-4, 113085-04-4, 113085-05-5, 119478-03-4, 122871-99-2, 130467-19-5, 130548-13-9
(±)-astaxanthin

Conditions

Conditions	Yield
With ethyloxirane; water 1.) reflux; 2.) ethanol, reflux, 18 h; (Z->E) isomerisation in heptane;	82.5%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <5-((R)-4-Hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

: 60760-95-4
(3R,3'R)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

Conditions

Conditions	Yield
	81.2%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 63-91-2
L-phenylalanine

: C28H28N2O4(2-)*2Na(1+)

Conditions

Conditions	Yield
With sodium methylate In methanol; toluene Ambient temperature;	81%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 76686-46-9
(all-E)-8-hydroxy-2,7-dimethylocta-2,4,6-trienal

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol	80%
With sodium tetrahydroborate In methanol

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate

: 121881-08-1
(2E,4E,6E)-8-Benzo[1,3]dithiol-2-ylidene-2,7-dimethyl-octa-2,4,6-trienal

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane	80%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide

: 7542-45-2
3,3'-dihydroxy-β,β-carotene-4,4'-dione

Conditions

Conditions	Yield
Stage #1: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide With ethyloxirane In isopropyl alcohol for 18h; Heating / reflux; Stage #2: In dichloromethane Heating / reflux;	80%
In various solvent(s) at 63℃; for 20h; Condensation; Wittig reaction;	55%
With ethyloxirane at 63℃; for 20h;	54.7%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 63184-93-0
(2E,4E)-<5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl>triphenylphosphonium bromide

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With sodium methylate In methanol; dichloromethane at -10℃; for 1h;	78%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 60346-00-1
neryltriphenylphosphonium bromide

A: 13832-81-0, 53872-51-8, 70191-51-4, 81738-47-8, 81738-48-9, 89064-90-4, 89064-91-5, 89164-53-4
(6Z,8E,10E,12E,14E,16E,18Z)-2,6,10,15,19,23-hexamethyl-tetracosa-2,6,8,10,12,14,16,18,22-nonaene

B: 13832-81-0, 53872-51-8, 70191-51-4, 81738-47-8, 81738-48-9, 89064-90-4, 89064-91-5, 89164-53-4
(6Z,8Z,10E,12E,14E,16Z,18Z)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,8,10,12,14,16,18,22-nonaene

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃;	A 77% B n/a
In tetrahydrofuran at 0℃;

...Expand

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: (all-E)-5-<(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-enyl>-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

: 62742-02-3
(all-E)-(3R)-3-hydroxy-12'-apo-β-caroten-12'-al

Conditions

Conditions	Yield
With sodium hydride In dichloromethane at 20℃; for 12h;	77%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide

A: 7542-45-2
3,3'-dihydroxy-β,β-carotene-4,4'-dione

B: 106776-90-3
semi-astacene

C: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
Stage #1: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide With sodium methylate In methanol; dichloromethane at -5℃; for 19.6 - 20.5h; Stage #2: With acetic acid In methanol; dichloromethane Product distribution / selectivity;	A 75.8% B n/a C n/a

...Expand

2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)- Specification

The 2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-, with the CAS registry number 5056-17-7, is also known as (E,E,E)-2,7-Dimethylocta-2,4,6-trienedial. Its EINECS registry number is 225-756-0. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.20108. Its systematic name is called (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial.

Physical properties of 2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 2.64; (5)ACD/BCF (pH 7.4): 2.64; (6)ACD/KOC (pH 5.5): 69.69; (7)ACD/KOC (pH 7.4): 69.69; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 48.61 cm³; (12)Molar Volume: 168.6 cm³; (13)Surface Tension: 32.1 dyne/cm; (14)Density: 0.973 g/cm³; (15)Flash Point: 113.3 °C; (16)Enthalpy of Vaporization: 54.36 kJ/mol; (17)Boiling Point: 303.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000939 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C(=C\C=C\C=C(\C=O)C)C
(2)InChI: InChI=1/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3/b4-3+,9-5+,10-6+
(3)InChIKey: AYODHZHFDRRQEZ-XLKYRCCQBW

Product Name

(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

Synthetic route

2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)- Specification

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