Product Name

  • Name

    3-isobutylglutaric anhydride

  • EINECS
  • CAS No. 185815-59-2
  • Article Data16
  • CAS DataBase
  • Density 1.054 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H14O3
  • Boiling Point 279.3 °C at 760 mmHg
  • Molecular Weight 170.208
  • Flash Point 124 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 185815-59-2 (3-isobutylglutaric anhydride)
  • Hazard Symbols
  • Synonyms 3-Isobutylglutaricanhydride;2H-pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)-;4-Isobutyldihydro-2H-pyran-2,6(3H)-dione;
  • PSA 43.37000
  • LogP 1.51230

Synthetic route

5-methyl-3-carboxymethylhexanoic acid
75143-89-4

5-methyl-3-carboxymethylhexanoic acid

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
With propionic acid anhydride at 140 - 145℃; for 6h;91%
With acetyl chloride at 20 - 55℃; for 3.08333h; Inert atmosphere;85%
at 150℃; unter vermindertem Druck;
isovaleraldehyde
590-86-3

isovaleraldehyde

cyanoacetic acid amide
107-91-5

cyanoacetic acid amide

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
Stage #1: isovaleraldehyde; cyanoacetic acid amide; piperidine In dichloromethane; water at 22 - 25℃; for 6h;
Stage #2: With hydrogenchloride In water for 20h; Heating;
Stage #3: With acetic anhydride for 2h; Heating; Further stages.;		65%
diethyl 2-(3-methylbutylidene)malonate
51615-30-6

diethyl 2-(3-methylbutylidene)malonate

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: di-n-propylamine / 16 h / 15 - 55 °C
2: hydrogen bromide / water / 72 h / 100 °C
3: acetyl chloride / 3.08 h / 20 - 55 °C / Inert atmosphere
View Scheme
2-isobutyl-propane-1,1,3,3-tetracarboxylic acid tetraethyl ester
102710-09-8

2-isobutyl-propane-1,1,3,3-tetracarboxylic acid tetraethyl ester

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen bromide / water / 72 h / 100 °C
2: acetyl chloride / 3.08 h / 20 - 55 °C / Inert atmosphere
View Scheme
isovaleraldehyde
590-86-3

isovaleraldehyde

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: piperidine; pyridine; acetic acid / hexane / 48 h / Reflux; Inert atmosphere
2: di-n-propylamine / 16 h / 15 - 55 °C
3: hydrogen bromide / water / 72 h / 100 °C
4: acetyl chloride / 3.08 h / 20 - 55 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: tetramethyl ammoniumhydroxide; trimethyldodecylammonium chloride / ethanol / 6 h / 25 °C
2: water; hydrogenchloride / 30 h / 140 °C / pH 1 - 2
3: acetic anhydride / 2 h / 120 °C
View Scheme
2,4-dicyano-3-isobutylglutaramide

2,4-dicyano-3-isobutylglutaramide

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: water; hydrogenchloride / 30 h / 140 °C / pH 1 - 2
2: acetic anhydride / 2 h / 120 °C
View Scheme
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(±)‑3‑(carbamoylmethyl)‑5‑methylhexanoic acid
181289-15-6

(±)‑3‑(carbamoylmethyl)‑5‑methylhexanoic acid

Conditions
ConditionsYield
With ammonia In water at -10 - 40℃; for 1.5h;100%
With ammonium hydroxide at 10℃; for 2h; Temperature;95%
Stage #1: 3-isobutylglutaric anhydride With ammonia In tert-butyl methyl ether; water at 0 - 20℃;
Stage #2: With hydrogenchloride In tert-butyl methyl ether; water pH=2;		80.4%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

Cyclohexanethiol
1569-69-3

Cyclohexanethiol

(-)-3-cyclohexylsulfanylcarbonylmethyl-5-methyl-hexanoic acid
1237492-10-2

(-)-3-cyclohexylsulfanylcarbonylmethyl-5-methyl-hexanoic acid

Conditions
ConditionsYield
In tert-butyl methyl ether at 20℃; for 72h; Product distribution / selectivity; Inert atmosphere;100%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(R)-1-phenyl-ethyl-amine
3886-69-9

(R)-1-phenyl-ethyl-amine

(3R)-5-methyl-3-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)hexanoic acid
930585-94-7

(3R)-5-methyl-3-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)hexanoic acid

Conditions
ConditionsYield
Stage #1: 3-isobutylglutaric anhydride; (R)-1-phenyl-ethyl-amine With dmap In ethyl acetate at 0 - 5℃; for 1.75 - 2.33h;
Stage #2: With sodium hydrogencarbonate In water; ethyl acetate
Stage #3: With hydrogenchloride In water pH=2 - 2.5; Product distribution / selectivity;		99.3%
Stage #1: 3-isobutylglutaric anhydride; (R)-1-phenyl-ethyl-amine With dmap In isopropyl alcohol at 0 - 5℃; for 1.75 - 2.33h;
Stage #2: With sodium hydrogencarbonate In water; isopropyl alcohol
Stage #3: With hydrogenchloride In water pH=2 - 2.5; Product distribution / selectivity;		99.34%
Stage #1: 3-isobutylglutaric anhydride; (R)-1-phenyl-ethyl-amine With dmap In toluene at 0 - 5℃; for 1.75 - 2.33h;
Stage #2: With sodium hydrogencarbonate In water; toluene
Stage #3: With hydrogenchloride In water pH=2 - 2.5; Product distribution / selectivity;		99.6%
methanol
67-56-1

methanol

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

3-isobutylglutaric acid methyl ester
181289-11-2

3-isobutylglutaric acid methyl ester

Conditions
ConditionsYield
at 20℃; for 16 - 18h; Product distribution / selectivity;97%
Stage #1: methanol; 3-isobutylglutaric anhydride With triethylamine at 20℃; for 16 - 18h;
Stage #2: With hydrogenchloride; water Product distribution / selectivity;		95%
methanol
67-56-1

methanol

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(3R)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid
156048-92-9

(3R)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid

Conditions
ConditionsYield
With N-((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-3,5-bis(trifluoromethyl)benzenesulfonamide In tert-butyl methyl ether at -20℃; for 14h; optical yield given as %ee; enantioselective reaction;96%
Stage #1: methanol; 3-isobutylglutaric anhydride; Q-BTBSA In tert-butyl methyl ether at -20℃; for 14h;
Stage #2: With hydrogenchloride In tert-butyl methyl ether; water Product distribution / selectivity;		96%
With Quinine In toluene at -70℃; for 17h; Product distribution / selectivity;95%
With Cinchonidin In toluene at -50℃; for 15h; Product distribution / selectivity;
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

phenylmethanethiol
100-53-8

phenylmethanethiol

(R)-3-(2-(benzylthio)-2-oxoethyl)-5-methylhexanoic acid
1432752-42-5

(R)-3-(2-(benzylthio)-2-oxoethyl)-5-methylhexanoic acid

Conditions
ConditionsYield
With N-((1R,2R)-2-(dimethylamino)-1-(4-nitrophenyl)-3-(trityloxy)propyl)-3,5-bis(trifluoromethyl)benzene-sulfonamide In tert-butyl methyl ether at -20℃; Inert atmosphere; Schlenk technique; enantioselective reaction;96%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

phenylmethanethiol
100-53-8

phenylmethanethiol

C16H22O3S

C16H22O3S

Conditions
ConditionsYield
With (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,4-trimethyl-N-(4-nitrobenzyl)(pentan-1-ylammonium) chloride In tert-butyl methyl ether at -10℃; for 16h; Solvent; Reagent/catalyst; Inert atmosphere;96%
methanol
67-56-1

methanol

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid
181289-25-8

(3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid

Conditions
ConditionsYield
With Cinchonin In toluene at -78 - -50℃; for 15 - 19h; Product distribution / selectivity;90%
With quinidine In toluene at -78 - -50℃; for 2 - 96h; Product distribution / selectivity;87%
In tert-butyl methyl ether at 20 - 25℃; for 3h; Enzymatic reaction;n/a
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl {4-methyl-2-[(1-carboxy)-methyl]-pentyl}-carbamate
1082077-22-2

isopropyl {4-methyl-2-[(1-carboxy)-methyl]-pentyl}-carbamate

Conditions
ConditionsYield
Stage #1: isopropyl alcohol With sodium azide; zinc(II) chloride at 20℃; Inert atmosphere;
Stage #2: 3-isobutylglutaric anhydride at 75 - 80℃;
Stage #3: With hydrogenchloride; sodium nitrite In water at -5 - 10℃;		90%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

1-hydroxy-4-(2-methylpropyl)piperidine-2,6-dione

1-hydroxy-4-(2-methylpropyl)piperidine-2,6-dione

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium hydroxide In water; isopropyl alcohol at 60 - 65℃; for 4h;90%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

3-hydrazinocarbonylmethyl-5-methyl-hexanoic acid
1159446-16-8

3-hydrazinocarbonylmethyl-5-methyl-hexanoic acid

Conditions
ConditionsYield
With sodium hydroxide; hydrazine In water; toluene at -5 - 5℃; for 2 - 3h; Product distribution / selectivity;86%
With sodium hydroxide; hydrazine In water; toluene at -5 - 5℃; for 2 - 3h; Product distribution / selectivity;86%
With sodium hydroxide; hydrazine In water at -5 - 5℃; for 2 - 3h; Product distribution / selectivity;
With sodium hydroxide; hydrazine In water at -5 - 5℃; for 2 - 3h; Product distribution / selectivity;
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

4-Bromobutyl acetate
4753-59-7

4-Bromobutyl acetate

C14H26O4

C14H26O4

Conditions
ConditionsYield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0); zinc In N,N-dimethyl acetamide at 80℃; for 12h;83%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

1-bromo-6-benzyloxyhexane
54247-27-7

1-bromo-6-benzyloxyhexane

C21H34O3

C21H34O3

Conditions
ConditionsYield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0); zinc In N,N-dimethyl acetamide at 80℃; for 12h;80%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(S)-1-phenyl-ethylamine
2627-86-3

(S)-1-phenyl-ethylamine

(3S)-5-methyl-3-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)hexanoic acid
930280-42-5

(3S)-5-methyl-3-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)hexanoic acid

Conditions
ConditionsYield
With dmap In toluene at -15 - -10℃; Temperature; Concentration;73%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(2E)-3-phenyl-2-propen-1-ol
4407-36-7

(2E)-3-phenyl-2-propen-1-ol

(-)-(R)-3-isobutyl-pentanedioic acid mono-(3-phenyl-allyl) ester
949890-69-1

(-)-(R)-3-isobutyl-pentanedioic acid mono-(3-phenyl-allyl) ester

Conditions
ConditionsYield
With Quinine In toluene at -30℃; for 24h;72%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

3-Phenylpropenol
104-54-1

3-Phenylpropenol

(-)-(R)-3-isobutyl-pentanedioic acid mono-(3-phenyl-allyl) ester
949890-69-1

(-)-(R)-3-isobutyl-pentanedioic acid mono-(3-phenyl-allyl) ester

Conditions
ConditionsYield
Stage #1: 3-isobutylglutaric anhydride; 3-Phenylpropenol With quinine In toluene at -35℃; for 24.25h;
Stage #2: With 1-Adamantanamine In tert-butyl methyl ether; isopropyl alcohol at 25 - 45℃; for 6h;
Stage #3: With hydrogenchloride In water; toluene Product distribution / selectivity;		69%
Stage #1: 3-isobutylglutaric anhydride; 3-Phenylpropenol With quinindine In di-isopropyl ether; water; toluene at -35℃; for 24.25h;
Stage #2: With (S)-1-phenyl-ethylamine In di-isopropyl ether; water at 25 - 35℃; for 4h;
Stage #3: With hydrogenchloride In water; toluene Product distribution / selectivity;		66%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

3-Phenylpropenol
104-54-1

3-Phenylpropenol

(S)-3-(2-(cinnamyloxy)-2-oxoethyl)-5-methylhexanoic acid

(S)-3-(2-(cinnamyloxy)-2-oxoethyl)-5-methylhexanoic acid

Conditions
ConditionsYield
Stage #1: 3-isobutylglutaric anhydride; 3-Phenylpropenol With quinindine In toluene at -38 - -35℃; for 24.25h;
Stage #2: With (S)-1-phenyl-ethylamine In di-isopropyl ether; water at 25 - 35℃; for 4h;
Stage #3: With hydrogenchloride In water; toluene		65%
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

aniline
62-53-3

aniline

3-isobutyl-N-phenyl-glutaramic acid

3-isobutyl-N-phenyl-glutaramic acid

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

phenylmagnesium chloride
100-59-4

phenylmagnesium chloride

A

(R)-5-Methyl-3-(2-oxo-2-phenyl-ethyl)-hexanoic acid

(R)-5-Methyl-3-(2-oxo-2-phenyl-ethyl)-hexanoic acid

B

(S)-5-Methyl-3-(2-oxo-2-phenyl-ethyl)-hexanoic acid

(S)-5-Methyl-3-(2-oxo-2-phenyl-ethyl)-hexanoic acid

Conditions
ConditionsYield
With (-)-sparteine In toluene at -78℃; for 24h; Grignard reaction; Title compound not separated from byproducts;
...Expand
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

A

(S)-3-{[(2S-1,3,3,trimethylbicyclo[2.2.1]heptan-2-yloxy)carbonyl]methyl}-5-methylhexanoic aic
1057113-79-7

(S)-3-{[(2S-1,3,3,trimethylbicyclo[2.2.1]heptan-2-yloxy)carbonyl]methyl}-5-methylhexanoic aic

B

(R)-3-{[(2S-1,3,3,trimethylbicyclo[2.2.1]heptan-2-yloxy)carbonyl]methyl}-5-methylhexanoic aic
1057113-81-1

(R)-3-{[(2S-1,3,3,trimethylbicyclo[2.2.1]heptan-2-yloxy)carbonyl]methyl}-5-methylhexanoic aic

Conditions
ConditionsYield
Stage #1: (1S)-1,3,3-trimethyl-norbornan-2endo-ol With sodium hydride In toluene at 80℃;
Stage #2: 3-isobutylglutaric anhydride In toluene at 0 - 20℃; for 3h;
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

A

(S)-4-(((S)-carboxy(phenyl)methoxy)carbonyl)-3-isobutylbutanoic acid
959624-21-6

(S)-4-(((S)-carboxy(phenyl)methoxy)carbonyl)-3-isobutylbutanoic acid

B

(R)-4-(((S)-carboxy(phenyl)methoxy)carbonyl)-3-isobutylbutanoic acid
1057113-78-6

(R)-4-(((S)-carboxy(phenyl)methoxy)carbonyl)-3-isobutylbutanoic acid

Conditions
ConditionsYield
Stage #1: (S)-Mandelic acid With sodium hydride In toluene Heating / reflux;
Stage #2: 3-isobutylglutaric anhydride In toluene at 20℃; for 6h;
methanol
67-56-1

methanol

3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid
181289-33-8

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid

Conditions
ConditionsYield
Stage #1: methanol; 3-isobutylglutaric anhydride With quinidine at -50℃; for 17h;
Stage #2: With ammonia In water at 20 - 40℃; for 72h;
Stage #3: With hydrogenchloride In water pH=3; Product distribution / selectivity;
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

benzyl alcohol
100-51-6

benzyl alcohol

A

(S)-3-isobutyl-pentanedioic acid monobenzyl ester

(S)-3-isobutyl-pentanedioic acid monobenzyl ester

B

(R)-3-isobutyl-pentanedioic acid monobenzyl ester

(R)-3-isobutyl-pentanedioic acid monobenzyl ester

Conditions
ConditionsYield
With Quinine In toluene at -25℃; for 23h; Title compound not separated from byproducts.;
With quinine In toluene at 20℃; for 20h; optical yield given as %ee; enantioselective reaction;
With xanthene-9-carboxylic acid; quinine In toluene at 20℃; for 20h; optical yield given as %ee; enantioselective reaction;
With xanthene-9-carboxylic acid; quinindine In toluene at 20℃; for 22h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;
With xanthene-9-carboxylic acid; quinine In toluene at 20℃; for 18h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;
...Expand
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(-)-(S)-5-methyl-3-[(3-phenyl-allyloxycarbonylamino)methyl]-hexanoic acid 3-phenyl-allyl ester

(-)-(S)-5-methyl-3-[(3-phenyl-allyloxycarbonylamino)methyl]-hexanoic acid 3-phenyl-allyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 72 percent / quinine / toluene / 24 h / -30 °C
2.1: triethylamine; diphenylphosphoryl azide / toluene / 20 - 90 °C
2.2: toluene / Heating
View Scheme
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(-)-(S)-3-(benzyloxycarbonylamino-methyl)-5-methyl-hexanoic acid 3-phenyl-allyl ester
949890-73-7

(-)-(S)-3-(benzyloxycarbonylamino-methyl)-5-methyl-hexanoic acid 3-phenyl-allyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 72 percent / quinine / toluene / 24 h / -30 °C
2.1: triethylamine; diphenylphosphoryl azide / toluene / 20 - 90 °C
2.2: toluene / Heating
View Scheme
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(-)-(S)-3-(benzyloxycarbonylamino-methyl)-5-methyl-hexanoic acid
949890-75-9

(-)-(S)-3-(benzyloxycarbonylamino-methyl)-5-methyl-hexanoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 72 percent / quinine / toluene / 24 h / -30 °C
2.1: triethylamine; diphenylphosphoryl azide / toluene / 20 - 90 °C
2.2: toluene / Heating
3.1: 12.7 g / morpholine; triphenylphosphine / Pd(OAc)2 / ethanol / 3 h / Heating
View Scheme
Multi-step reaction with 4 steps
1.1: N-((1R,2R)-2-(dimethylamino)-1-(4-nitrophenyl)-3-(trityloxy)propyl)-3,5-bis(trifluoromethyl)benzene-sulfonamide / tert-butyl methyl ether / -20 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; diphenyl phosphoryl azide / toluene / 20 - 90 °C / Inert atmosphere; Schlenk technique
3.1: toluene / Reflux; Inert atmosphere; Schlenk technique
4.1: lithium hydroxide; dihydrogen peroxide / water; tetrahydrofuran / 3 h / 20 °C / Inert atmosphere; Schlenk technique
4.2: 0 °C / Inert atmosphere; Schlenk technique
View Scheme
Multi-step reaction with 3 steps
1.1: (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,4-trimethyl-N-(4-nitrobenzyl)(pentan-1-ylammonium) chloride / tert-butyl methyl ether / 16 h / -10 °C / Inert atmosphere
2.1: triethylamine; diphenylphosphoranyl azide / toluene / 0.25 h / 25 - 85 °C
2.2: 12 h / Reflux
3.1: lithium hydroxide; dihydrogen peroxide / tetrahydrofuran / 4 h / 20 °C
View Scheme
3-isobutylglutaric anhydride
185815-59-2

3-isobutylglutaric anhydride

(S)-4-isobutyl-pyrrolidin-2-one
181289-23-6

(S)-4-isobutyl-pyrrolidin-2-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 72 percent / quinine / toluene / 24 h / -30 °C
2.1: triethylamine; diphenylphosphoryl azide / toluene / 20 - 90 °C
2.2: toluene / Heating
3.1: morpholine; triphenylphosphine / Pd(OAc)2 / ethanol / 3 h / Heating
View Scheme

3-Isobutylglutaric anhydride Specification

The 3-Isobutylglutaric anhydride, with the CAS registry number 185815-59-2, is also known as Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione. This chemical's molecular formula is C9H14O3 and molecular weight is 170.21. Its systematic name is called 4-(2-methylpropyl)dihydro-2H-pyran-2,6(3H)-dione.

Physical properties of 3-Isobutylglutaric anhydride: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.3; (5)ACD/BCF (pH 7.4): 3.3; (6)ACD/KOC (pH 5.5): 81.85; (7)ACD/KOC (pH 7.4): 81.85; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 43.47 cm3; (12)Molar Volume: 161.4 cm3; (13)Surface Tension: 33.1 dyne/cm; (14)Density: 1.054 g/cm3; (15)Flash Point: 124 °C; (16)Enthalpy of Vaporization: 51.79 kJ/mol; (17)Boiling Point: 279.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00406 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)CC(CC(C)C)C1
(2)InChI: InChI=1/C9H14O3/c1-6(2)3-7-4-8(10)12-9(11)5-7/h6-7H,3-5H2,1-2H3
(3)InChIKey: XLSGYCWYKZCYCK-UHFFFAOYAY

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View