- 3-Isobutylglutaric acid
- 3-Isobutylglutaric anhydride
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Cas Database |
| Name |
3-Isobutylglutaric acid |
EINECS | 1592732-453-0 |
| CAS No. | 75143-89-4 | Density | 1.126 g/cm3 |
| PSA | 74.60000 | LogP | 1.59810 |
| Solubility | N/A | Melting Point |
47 °C |
| Formula | C9H16O4 | Boiling Point | 326.197 °C at 760 mmHg |
| Molecular Weight | 188.224 | Flash Point | 165.289 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(2-methylpropyl)pentanedioic acid; |
Article Data | 26 |
3-Isobutylglutaric acid Synthetic route
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid for 12h; Reflux; | 99.4% |
| With hydrogenchloride; water at 140℃; for 30h; pH=1 - 2; Temperature; Reagent/catalyst; | 85% |
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Time; Reflux; | 91% |
- 181289-33-8
(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: (3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid With water; sodium hydroxide for 5h; Reflux; Stage #2: With hydrogenchloride In water pH=7; Reflux; | 85% |
- 868-52-0
2‑cyano‑5‑methylhex‑2‑enoic acid methyl ester
- 105-53-3
diethyl malonate
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2‑cyano‑5‑methylhex‑2‑enoic acid methyl ester; diethyl malonate With piperidine at 55℃; for 2h; Stage #2: With hydrogenchloride In water at 100 - 120℃; for 72h; | 85% |
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid Heating; | 42% |
| Conditions | Yield |
|---|---|
| With piperidine auf dem Wasserbade unter Rueckfluss und Erhitzen dann im Vakuum zur Abspaltung von Kohlendioxyd; |
- 102710-09-8
2-isobutyl-propane-1,1,3,3-tetracarboxylic acid tetraethyl ester
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 24h; Heating; Yield given; | |
| With hydrogenchloride; water at 100 - 125℃; for 20 - 24h; Product distribution / selectivity; | |
| Stage #1: 2-isobutyl-propane-1,1,3,3-tetracarboxylic acid tetraethyl ester With hydrogenchloride; sodium hydroxide; ethanol; water at -10 - -5℃; for 2 - 3h; Stage #2: With hydrogenchloride; water; acetic acid In ethanol pH=5 - 6; Stage #3: With hydrogenchloride; water at 100 - 125℃; for 20 - 24h; Product distribution / selectivity; | |
| With hydrogenchloride; water at 100 - 105℃; for 72h; Heating / reflux; | |
| With hydrogen bromide In water at 100℃; for 72h; Product distribution / selectivity; |
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 75143-89-4
5-methyl-3-carboxymethylhexanoic acid
| Conditions | Yield |
|---|---|
| With water; hydrogen bromide at 100 - 125℃; for 6 - 10h; Product distribution / selectivity; | |
| With hydrogenchloride; water at 100 - 125℃; for 50 - 125h; Product distribution / selectivity; | |
| With hydrogenchloride; water for 72h; Reflux; | |
| With hydrogenchloride Reflux; |
3-Isobutylglutaric acid Chemical Properties
Molecular Structure of 3-Isobutylglutaric acid (CAS NO.75143-89-4):
.gif)
Systematic Name: 3-(2-Methylpropyl)pentanedioic acid
Molecular Formula: C9H16O4
Molecular Weight: 188.22
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 6
Index of Refraction: 1.472
Molar Refractivity: 46.791 cm3
Molar Volume: 167.101 cm3
Surface Tension: 43.27 dyne/cm
Density: 1.126 g/cm3
Flash Point: 165.289 °C
Enthalpy of Vaporization: 62.484 kJ/mol
Boiling Point: 326.197 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Product Categories: intermidiate of Pregablin
SMILES: O=C(O)CC(CC(C)C)CC(=O)O
InChI: InChI=1/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKey: UATSLDZQNXAKMA-UHFFFAOYAZ
3-Isobutylglutaric acid Specification
3-Isobutylglutaric acid (CAS NO.75143-89-4), its Synonyms are Pentanedioic acid,3-(2-methylpropyl)- ; 3-(Aminomethyl)-5-methylhexanoic acid .
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