Suberic acid supplier | CasNO.505-48-6

Name
Suberic acid
EINECS 208-010-9
CAS No. 505-48-6
Article Data275
CAS DataBase
Density 1.162 g/cm³
Solubility 0.6 g/L (20 °C) in water
Melting Point 141-144 °C
Formula C₈H₁₄O₄
Boiling Point 361.2 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 186.5 °C
Transport Information
Appearance off-white crystalline powder
Safety 26-39-36
Risk Codes 36-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,6-Dicarboxyhexane;1,6-Hexanedicarboxylic acid;1,8-Octanedioicacid;Cork acid;Hexamethylenedicarboxylic acid;NSC 25952;NSC 53777;
PSA 74.60000
LogP 1.49620

Synthetic route

: 502-49-8
cycloactanone

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With oxygen; trifluoroacetic acid; sodium nitrite at 0 - 20℃; for 5.25h; Product distribution / selectivity;	98%
With dihydrogen peroxide In water; acetonitrile at 90℃; for 11h; Green chemistry;	92%
With dihydrogen peroxide; ortho-tungstic acid In water at 90℃; for 20h;	85%

: 629-40-3
octanedinitrile

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 2h;	98%
With water for 48h; Rhodococcus rhodochrous AJ270;	78%
With potassium phosphate buffer; Rhodococcus sp. AJ270 at 30℃; for 48h;	78%
With hydrogenchloride at 100℃;

: 931-88-4, 931-87-3
(Z)-Cyclooctene

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With periodic acid; ruthenium trichloride In water at 20℃; for 1.5h; Product distribution; Further Variations:; Solvents;	97%
With sodium periodate; 2C16H13N2O10Ru2(1-)*Ca(2+) In water at 45℃; for 16h; Green chemistry;	95%
With tert.-butylhydroperoxide; indium(III) chloride In water at 90℃; for 8h;	94%

: 629-41-4
1,8-Octanediol

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	97%
With sodium bromate; sodium hydrogensulfite In acetonitrile for 2h; Heating;	91%
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 48h;	86%
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 20℃; for 48h; Schlenk technique;	86%

: 696-71-9
cyclooctanol

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With oxygen; sodium nitrite In trifluoroacetic acid at 0 - 20℃; for 5h;	94%
With oxygen; trifluoroacetic acid; sodium nitrite at 0 - 20℃; for 5.25h; Product distribution / selectivity;	94%
Stage #1: cyclooctanol With Oxone; ruthenium(III) chloride monohydrate In water at 70℃; for 8h; Stage #2: In ethanol Cooling;	89%
With dihydrogen peroxide In water; acetonitrile at 90℃; for 11.5h; Green chemistry;	86%

: 931-88-4, 22770-27-0, 3958-30-3
1,2-cyclooctene

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With sodium periodate; RuCl3*2.9H2O In water at 20℃; for 0.5h; Sonication;	93%
With (tetra-n-butyl-ammonium)3(tetra(oxodiperoxotungstato)phosphate); dihydrogen peroxide In water at 90℃; for 3h;	87%
Stage #1: 1,2-cyclooctene With oxygen; ozone In tetrahydrofuran at 0℃; Stage #2: With hydroxylamine hydrochloride In tetrahydrofuran at 0 - 20℃; Reagent/catalyst; Inert atmosphere;	70%

: 931-88-4, 931-87-3
(Z)-Cyclooctene

oxone: oxone

Os(VIII): Os(VIII)

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium sulfate; OsO4 In ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol	92%

...Expand

: 13154-28-4
2-nitrocyclooctanone

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; potassium carbonate In methanol for 10h; Ambient temperature;	89%
With Oxone; sodium hydroxide; disodium hydrogenphosphate; water 1.) MeOH, 70 deg C, 4 h, 2.) MeOH, r.t., 4 h; Yield given. Multistep reaction;

: 65111-06-0
oct-4-ynedioic acid

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol for 15h;	88%
With palladium 10% on activated carbon; hydrogen In ethanol for 14h; Inert atmosphere;	68%

: 2050-23-9
diethyl suberate

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
Stage #1: diethyl suberate With iron(III) chloride In tetrachloromethane at 85℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; water In tetrachloromethane Inert atmosphere;	88%

: 5698-50-0
2-octene-1,8-dioic acid

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol; water	86%
With sodium amalgam; water

: 50338-42-6
(E)-1-trimethylsilyloxy-1-cyclooctene

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; bis(acetylacetonato)dioxidomolybdenum(VI) In benzene at 60℃; for 48h;	86%

: octanedioic acid isopropyl ester methyl ester

A: octanedioic acid monoisopropyl ester

B: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With trimethyltin hydroxide In 1,2-dichloro-ethane at 80℃; for 7h;	A 82% B n/a

: 27607-33-6
(1R,2S)-Cyclooctane-1,2-diol

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With potassium carbonate for 2.7h; Ambient temperature; electrolysis: nickel(III) oxide hydroxide electrode, 0.3 A;	80%
With dihydrogen peroxide; Na12[WZn3(H2O)2(ZnW9O34)2] at 75℃; for 7h;
With tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide In dichloromethane at 0 - 20℃;

: 42565-22-0
trans-1,2-cyclooctanediol

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With potassium carbonate for 2.7h; Ambient temperature; electrolysis: nickel(III) oxide hydroxide electrode, 0.3 A;	77%

: 286-62-4
Cyclooctene oxide

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With dodecyltrimethylammonium phosphotungstate; water; dihydrogen peroxide In toluene at 80℃; for 12h; chemoselective reaction;	76%

: 51503-32-3
Octandisaeure-monoaethyl-monomethylester

A: 505-48-6
octane-1,8-dioic acid

B: 14113-01-0
Ethyl hydrogen suberate

Conditions

Conditions	Yield
With trimethyltin hydroxide In 1,2-dichloro-ethane at 70℃; for 10h;	A n/a B 70%

: 292-64-8
Cyclooctan

A: 505-48-6
octane-1,8-dioic acid

B: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With ozone In neat (no solvent) at 20℃; for 15h; UV-irradiation;	A 70% B 6%
With cobalt(II) 5,10,15,20-tetra(4'-chlorophenyl)porphyrinate; oxygen at 120℃; under 4500.45 Torr; for 8h; Reagent/catalyst; Pressure; Autoclave;	A 5.7% B 16.2%
With 5,10,15,20-tetrakis(m-chlorophenyl)porphyrin cobalt(II); oxygen at 120℃; under 7500.75 Torr; for 8h; Autoclave;	A 10.9% B 7.8%
With IrI(CO)2(2-(2′-pyridyl)-2-propanoate); acetic acid; periodic acid In water; acetonitrile at 25℃; for 1h; Catalytic behavior;	A 11 %Chromat. B 15 %Chromat.

: 629-40-3
octanedinitrile

A: 505-48-6
octane-1,8-dioic acid

B: 5810-22-0
7-Cyanoheptanoic acid

Conditions

Conditions	Yield
With Arabidopsis thaliana nitrilase In methanol pH=8.5;	A n/a B 61%

: 931-88-4, 931-87-3
(Z)-Cyclooctene

A: 286-62-4
Cyclooctene oxide

B: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With 3-methylimidazolinium hydrogensulfate; trimethylhexadecylammonium perrhenate; dihydrogen peroxide at 80℃; Reagent/catalyst; Ionic liquid; Green chemistry;	A 20% B 57%
With dihydrogen peroxide; 6-molybdo-6-tungstophosphoric acid/Al/C In tert-butyl alcohol at 60℃; for 10h;	A 30% B 7%

: 292-64-8
Cyclooctan

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; bis(acetylacetonato)manganese(II); oxygen; acetic acid at 100℃; under 760.051 Torr; for 14h;	53%
With N-hydroxyphthalimide; nitric acid; trifluoroacetic acid at 20℃; under 760.051 Torr; for 18h;	30%
With nitric acid
With nitric acid

: 77733-74-5
3,6-Hexano-4,5-oxepindicarbonsaeure-diethylester

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With ruthenium trichloride; sodium periodate In tetrachloromethane; water; acetonitrile for 2h; Ambient temperature;	52%
With potassium permanganate; sulfuric acid In 1,4-dioxane; water	17%

: 4277-32-1
1,2-cyclooctanediol

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; for 6h; Sealed tube;	52%

: 4277-32-1
1,2-cyclooctanediol

A: 505-48-6
octane-1,8-dioic acid

B: 3008-37-5
cyclooctane-1,2-dione

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen; cobalt acetylacetonate In acetonitrile under 760.051 Torr; for 20h; Oxidation; Heating;	A 44 % Chromat. B 42%
With N-hydroxyphthalimide; cobalt(III) acetylacetonate; oxygen In acetonitrile at 65℃; for 12h;	A 44 % Turnov. B 42 % Turnov.

: 74515-94-9
3,13-dimethoxy-10,20-dihydroperoxy-1,2-11,12-tetraoxacycloeicosane

A: 505-48-6
octane-1,8-dioic acid

B: 74-85-1
ethene

C: 3006-51-7
8-oxodecanoic acid

D carbon monooxide, carbon dioxide, oxygen: carbon monooxide, carbon dioxide, oxygen

Conditions

Conditions	Yield
In various solvent(s) at 150℃; Product distribution;	A 40% B n/a C 12% D n/a

...Expand

: 1-(4-methoxyphenyl)pent-4-enyl pent-4-enoate

A: 505-48-6
octane-1,8-dioic acid

B: 24536-02-5
8-(4-methoxyphenyl)octanoic acid

C: 4280-59-5
1,8-bis(4-methoxyphenyl)octane

Conditions

Conditions	Yield
Stage #1: 1-(4-methoxyphenyl)pent-4-enyl pent-4-enoate With Hoveyda-Grubbs catalyst second generation In toluene at 110℃; for 0.5h; Stage #2: With palladium on activated charcoal; hydrogen In methanol; ethyl acetate Stage #3: With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 0.166667h;	A n/a B 38% C 31%

...Expand

: 931-88-4, 931-87-3
(Z)-Cyclooctene

A: 286-62-4
Cyclooctene oxide

B: 505-48-6
octane-1,8-dioic acid

C: 4277-32-1
1,2-cyclooctanediol

Conditions

Conditions	Yield
With 3-methylimidazolinium hydrogensulfate; dihydrogen peroxide at 80℃; Ionic liquid; Green chemistry;	A 31% B 38% C 11%

...Expand

: (S)-2-isopropyl-1-(4-methoxyphenyl)pent-4-enyl pent-4-enoate

A: 505-48-6
octane-1,8-dioic acid

B: (3R,8R)-3,8-bis(4-methoxybenzyl)-2,9-dimethyldecane

C: (R)-7-(4-methoxybenzyl)-8-methylnonanoic acid

Conditions

Conditions	Yield
Stage #1: (S)-2-isopropyl-1-(4-methoxyphenyl)pent-4-enyl pent-4-enoate With Hoveyda-Grubbs catalyst second generation In toluene at 110℃; for 0.333333h; Stage #2: With palladium on activated charcoal; hydrogen In methanol; ethyl acetate Stage #3: With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 0.166667h;	A n/a B 36% C 37%

...Expand

: 505-48-6
octane-1,8-dioic acid

: 10521-06-9
oxonane-2,9-dione

Conditions

Conditions	Yield
With acetic anhydride at 150℃; for 1.5h; Reagent/catalyst; Inert atmosphere;	100%
With acetic anhydride	100%
With acetic anhydride at 160℃; for 2h;	99%

: 505-48-6
octane-1,8-dioic acid

: 10027-07-3
suberoyl chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide for 1.5h; Reflux;	100%
With thionyl chloride for 8h; Heating;	77%
With thionyl chloride at 120℃; for 4h;	69.2%

: 505-48-6
octane-1,8-dioic acid

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: di-tetrabutylammonium suberate

Conditions

Conditions	Yield
In methanol at 20℃; for 3h;	100%
In tetrahydrofuran Inert atmosphere;

: 505-48-6
octane-1,8-dioic acid

: 96-53-7
2-mercaptothiazoline

: 1,8-bis-(2-thioxo-thiazolidin-3-yl)-octane-1,8-dione

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dimethyl sulfoxide at 20℃; for 1h;	100%

: 134469-06-0
thiazolidine-2-thione

: 505-48-6
octane-1,8-dioic acid

: 1,8-bis-(2-thioxo-thiazolidin-3-yl)-octane-1,8-dione

Conditions

Conditions	Yield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dimethyl sulfoxide at 20℃; for 1h;	100%

: 505-48-6
octane-1,8-dioic acid

: 108-24-7
acetic anhydride

: 10521-06-9
oxonane-2,9-dione

Conditions

Conditions	Yield
at 160℃; for 2h;	99%
at 170℃; for 2.5h; Temperature;	99.9%
for 1h; Reflux;	96%

: 505-48-6
octane-1,8-dioic acid

: 459142-93-9
1,1'-bis(4-pyridinyl)ferrocene

: [(Fe(η5-C5H4-1-(4-C5H4N))2)2(1-siberic acid)2]

Conditions

Conditions	Yield
In methanol 1:1 mixt. ground for 5 min, dissolved in methanol; crystd.;	99%

: 505-48-6
octane-1,8-dioic acid

: 616-38-6
carbonic acid dimethyl ester

: 1732-09-8
dimethyl subarate

Conditions

Conditions	Yield
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry;	99%

: 505-48-6
octane-1,8-dioic acid

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: Co(octanedioate) * 3 H2O

Conditions

Conditions	Yield
In ethanol; water addn. of ligand soln. (in H2O/EtOH=1:4) to slight excess of Co-salt, refluxing for 2 h (pptn.); cooling to room temp., filtration, washing (EtOH, ether), drying in air;elem. anal.;	98%

: 505-48-6
octane-1,8-dioic acid

: 91-16-7
1,2-dimethoxybenzene

: 50766-16-0
1,6-bis(3,4-dimethoxyphenyl)-1,6-hexanedione

Conditions

Conditions	Yield
Stage #1: octane-1,8-dioic acid With thionyl chloride In dichloromethane for 4.5h; Reflux; Stage #2: 1,2-dimethoxybenzene With aluminum (III) chloride In dichloromethane at 0℃; for 5h; Friedel-Crafts Acylation;	98%

: 67-56-1
methanol

: 505-48-6
octane-1,8-dioic acid

: 1732-09-8
dimethyl subarate

Conditions

Conditions	Yield
With sulfuric acid Reflux;	95%
With sulfuric acid Heating;	90%
With thionyl chloride	87%

: 505-48-6
octane-1,8-dioic acid

: 541-41-3
chloroformic acid ethyl ester

: 41246-58-6
suberoyl ethylcarbonate

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 1h;	95%
With triethylamine In tetrahydrofuran
With triethylamine In tetrahydrofuran at -45℃; for 0.5h;
With TEA In chloroform at 0℃; for 0.5h;
With triethylamine In 1,4-dioxane at 5℃; for 0.5h; Acetoxylation;

: 505-48-6
octane-1,8-dioic acid

: cobalt(II) nitrate hexahydrate

: 7803-57-8
hydrazine hydrate

: cobalt(II)suberate*2(hydrazine)

Conditions

Conditions	Yield
In water byproducts: HNO3; aq. soln. of suberic acid and hydrazine hydrate added to metal nitrate soln.; ppt. collected, washed (water, ethanol, ether), air dried; elem. anal.;	95%

...Expand

: 505-48-6
octane-1,8-dioic acid

: 13022-56-5
fluorure d'acide suberique

Conditions

Conditions	Yield
With 1-methyl-2-fluoropyridinium p-toluenesulfonate; triethylamine In dichloromethane for 0.5h; Ambient temperature;	94%
With 1-methyl-2-fluoropyridinium p-toluenesulfonate	94%
With uranium hexafluoride In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃; for 17h; Inert atmosphere;	99 %Spectr.

: 505-48-6
octane-1,8-dioic acid

: C115H159N3O74

: N-{2-N-{2-[1,3-di-(O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyloxy)]propanyl}pentane-1,5-diamidyl}octane-1,8-diamide

Conditions

Conditions	Yield
Stage #1: octane-1,8-dioic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.5h; Stage #2: C115H159N3O74 With 4-methyl-morpholine In tetrahydrofuran at 0 - 20℃; for 38h; pH=8 - 9; Stage #3: With methanol; sodium methylate at 20℃; for 12h;	94%

: 505-48-6
octane-1,8-dioic acid

: 62-53-3
aniline

: 6998-10-3
N-phenylhexanamide

Conditions

Conditions	Yield
Stage #1: octane-1,8-dioic acid In tetrahydrofuran at 35℃; for 1h; Stage #2: aniline With 2-chloro-1,3,2-benzodioxaborole In tetrahydrofuran at 45℃; for 3.5h; Temperature; Reagent/catalyst;	93.3%

: 505-48-6
octane-1,8-dioic acid

: N-{2-[1-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyloxy)-3-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyloxy)]propanyl}-2-aminopentane-1,5-diamide

: N-{2-N-{2-[1-(O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyloxy)-3-(O-α-D-mannopyranosyloxy)]propanyl}pentane-1,5-diamidyl}octane-1,8-diamide

Conditions

Conditions	Yield
Stage #1: octane-1,8-dioic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.5h; Stage #2: N-{2-[1-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyloxy)-3-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyloxy)]propanyl}-2-aminopentane-1,5-diamide In tetrahydrofuran at 0 - 20℃; for 38h; pH=8 - 9; Stage #3: With methanol; sodium methylate at 20℃; for 12h;	93%

Yield

Stage #1: octane-1,8-dioic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.5h;
Stage #2: N-{2-[1-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyloxy)-3-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyloxy)]propanyl}-2-aminopentane-1,5-diamide In tetrahydrofuran at 0 - 20℃; for 38h; pH=8 - 9;
Stage #3: With methanol; sodium methylate at 20℃; for 12h;

93%

: 505-48-6
octane-1,8-dioic acid

: 592-84-7
n-butyl formate

A: 16090-77-0
Octanedioic acid dibutyl ester

B: Octanedioic acid monobutyl ester

Conditions

Conditions	Yield
With Dowex 50W-X2 (50-100 mesh) In octane at 100℃; for 1.66667h;	A 5% B 92%
With Dowex 50Wx2 In octane at 100℃; for 1.66667h; Esterification;	A 5% B 92%

...Expand

: 505-48-6
octane-1,8-dioic acid

: 2791-84-6
L-glutamic acid dibenzyl ester 4-toluenesulfonate

: 1448542-46-8
C46H52N2O10

Conditions

Conditions	Yield
With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃;	92%

: 505-48-6
octane-1,8-dioic acid

: 79-37-8
oxalyl dichloride

: 10027-07-3
suberoyl chloride

Conditions

Conditions	Yield
With N,N-dimethylvinylamine In dichloromethane at 20℃; for 1h;	92%

: 505-48-6
octane-1,8-dioic acid

: 3,3’-di-n-octyl-1,1’-(1,4-phenylenedimethylene)diimidazolium dibromide

: 3,3'-di-n-octyl-1,1'(1,4-phenylenedimethylene)diimidazolium suberate

Conditions

Conditions	Yield
Stage #1: 3,3’-di-n-octyl-1,1’-(1,4-phenylenedimethylene)diimidazolium dibromide With Amberlite resin IRA-400 (hydroxide form) In methanol; water Stage #2: octane-1,8-dioic acid In methanol; water	92%

: 505-48-6
octane-1,8-dioic acid

: 66-71-7
1,10-Phenanthroline

: uranyl nirate hexahydrate

: manganese (II) nitrate tetrahydrate

: [UO2Mn(suberic acid(-2H))2(1,10-phenanthroline)2]2

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 140℃;	91%

...Expand

: 462-08-8
pyridin-3-ylamine

: 67-56-1
methanol

: 505-48-6
octane-1,8-dioic acid

: 7789-45-9
copper(ll) bromide

: [Cu(suberateH)2(3-aminopyridine)2*2MeOH]n

Conditions

Conditions	Yield
In methanol suberic acid added to MeOH soln. of CuBr2 while heating and stirring; 3-aminopyridine added; left for 1 wk at 4°C; elem. anal.;	90%

...Expand

Suberic acid Specification

The IUPAC name of Suberic acid is octanedioic acid. With the CAS registry number 505-48-6, it is also named as 1,6-Hexanedicarboxylic acid. The product's categories are Miscellaneous Natural Products; alpha,omega-Alkanedicarboxylic Acids; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. It is off-white crystalline powder which is soluble in water, ether and ethanol, almost insoluble in chloroform. What's more, it is stable, combustible and incompatible with strong oxidizing agents, reducing agents, bases. Additioanlly, this chemical should be sealed in the container and stored in the ventilate and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -3.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 42.24 cm³; (14)Molar Volume: 149.8 cm³; (15)Polarizability: 16.74×10^-24 cm³; (16)Surface Tension: 47.8 dyne/cm; (17)Enthalpy of Vaporization: 66.68 kJ/mol; (18)Vapour Pressure: 3.37E-06 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Exact Mass: 174.089209; (21)MonoIsotopic Mass: 174.089209; (22)Topological Polar Surface Area: 74.6; (23)Heavy Atom Count: 12; (24)Complexity: 135.

Preparation of Suberic acid: It can be obtained by cyclooctanone. This reaction needs reagent chromic acid and diluted sulfuric acid.

Uses of Suberic acid: It is used in plastics industry and polymer synthesis, It is also react with methanol to get octanedioic acid monomethyl ester. This reaction needs reagents water and HCl.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CCCCCCC(=O)O
2. InChI:InChI=1/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
3. InChIKey:TYFQFVWCELRYAO-UHFFFAOYAN

Product Name

Suberic acid

Synthetic route

Suberic acid Specification

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