- 3-Isobutylglutaric acid
- 3-Isobutylglutaric anhydride
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Cas Database |
| Name |
3-Isobutylglutaric anhydride |
EINECS | N/A |
| CAS No. | 185815-59-2 | Density | 1.054 g/cm3 |
| PSA | 43.37000 | LogP | 1.51230 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H14O3 | Boiling Point | 279.3 °C at 760 mmHg |
| Molecular Weight | 170.208 | Flash Point | 124 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Isobutylglutaricanhydride;2H-pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)-;4-Isobutyldihydro-2H-pyran-2,6(3H)-dione; |
Article Data | 16 |
3-Isobutylglutaric anhydride Synthetic route
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
- 185815-59-2
3-isobutylglutaric anhydride
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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% |
- 51615-30-6
diethyl 2-(3-methylbutylidene)malonate
- 185815-59-2
3-isobutylglutaric anhydride
| Conditions | Yield |
|---|---|
| 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 |
- 102710-09-8
2-isobutyl-propane-1,1,3,3-tetracarboxylic acid tetraethyl ester
- 185815-59-2
3-isobutylglutaric anhydride
| Conditions | Yield |
|---|---|
| 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 |
- 590-86-3
isovaleraldehyde
- 185815-59-2
3-isobutylglutaric anhydride
| Conditions | Yield |
|---|---|
| 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 |
- 185815-59-2
3-isobutylglutaric anhydride
| Conditions | Yield |
|---|---|
| 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 |
- 185815-59-2
3-isobutylglutaric anhydride
- 181289-15-6
(±)‑3‑(carbamoylmethyl)‑5‑methylhexanoic acid
| Conditions | Yield |
|---|---|
| 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% |
- 185815-59-2
3-isobutylglutaric anhydride
- 1569-69-3
Cyclohexanethiol
- 1237492-10-2
(-)-3-cyclohexylsulfanylcarbonylmethyl-5-methyl-hexanoic acid
| Conditions | Yield |
|---|---|
| In tert-butyl methyl ether at 20℃; for 72h; Product distribution / selectivity; Inert atmosphere; | 100% |
- 185815-59-2
3-isobutylglutaric anhydride
- 3886-69-9
(R)-1-phenyl-ethyl-amine
- 930585-94-7
(3R)-5-methyl-3-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)hexanoic acid
| Conditions | Yield |
|---|---|
| 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% |
- 67-56-1
methanol
- 185815-59-2
3-isobutylglutaric anhydride
- 181289-11-2
3-isobutylglutaric acid methyl ester
| Conditions | Yield |
|---|---|
| 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% |
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
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