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| CAS No.: | 3059-97-0 |
|---|---|
| Name: | D(-)-Isovaline |
| Article Data: | 25 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H11NO2 |
| Molecular Weight: | 117.148 |
| Synonyms: | Isovaline,D- (8CI);(R)-Isovaline;a-Methyl-D-a-aminobutyric acid; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 276-278 °C (lit.) |
| Boiling Point: | 213.6 °C at 760 mmHg |
| Flash Point: | 83 °C |
| Solubility: | freely soluble |
| Appearance: | White needles or crystalline powder |
| Safety: | 24/25 |
| PSA: | 63.32000 |
| LogP: | 0.89870 |
- 306-03-6Benzeneacetic acid, a-(hydroxymethyl)-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (1:1), (aS)-
- 3060-41-1Benzenepropanoic acid, b-(aminomethyl)-, hydrochloride(1:1)
- 3060-46-6L-Leucine, N-methyl-
- 3060-50-2Benzeneacetic acid, a-amino-a-phenyl-
- 306-07-0Benzenemethanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1)
- 306-08-1Homovanillic acid
- 30608-62-9Oxirane, 2-ethyl-,(2S)-
- 3060-89-7Urea,N'-(4-bromophenyl)-N-methoxy-N-methyl-
- 3061-36-7Benzene, 1,4-diphenoxy-
- 30614-77-83,4-Furandicarboxylicacid, 3,4-diethyl ester
- 1092559-79-9
benzyl (R)-2-azido-2-methylbutanoate
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With 1% Pd/C; hydrogen In methanol at 20℃; | 100% |
| With 10% Pd/C; hydrogen In ethanol at 20℃; optical yield given as %ee; | 97% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 100℃; for 16h; | 99% |
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; methyloxirane | 93% |
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 150℃; for 24h; | 89% |
- 40916-97-0
(R)-2-Amino-2-methyl-butyric acid ethyl ester
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In ethanol for 4h; Reflux; | 89% |
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: (R)-2-amino-2-methylbutanoic acid tert-butyl ester With methanesulfonic acid In 1,2-dichloro-ethane at 25 - 80℃; for 13h; Stage #2: With triethylamine In 1,2-dichloro-ethane at 25℃; for 16h; | 76% |
- 88082-98-8
(+/-)-2-amino-4-(benzylthio)-2-methylbutanoic acid
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With ranney nickel In water for 12h; Heating; | 71% |
- 86960-59-0
N-chloroacetyl-D-isovaline
- 3059-97-0
(2R)-2-amino-2-methylbutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| durch Vergaerung mit Hefe unter Zusatz von Zucker; | |
| Multi-step reaction with 2 steps 1: Ac2O 2: HCl / methanol View Scheme |
| Conditions | Yield |
|---|---|
| (i) (racemate resolution using l-menthol), (ii) aq. HBr; Multistep reaction; | |
| Multi-step reaction with 2 steps 1: (i) Na, benzene, (ii) /BRN= 155858/ 2: aq. HBr / Heating View Scheme |
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Specification
The D-Isovaline, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Valine [Val, V]. It has the systematic name of D-isovaline. And its IUPAC name is (2R)-2-azaniumyl-2-methylbutanoate. This chemical is a kind of white needles or crystalline powder. When use it, avoid contact with skin and eyes.
Physical properties of D-Isovaline: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -2.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 30.27 cm3; (15)Molar Volume: 109.4 cm3; (16)Polarizability: 12×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 49.58 kJ/mol; (19)Vapour Pressure: 0.0633 mmHg at 25°C.
Preparation: this chemical can be prepared by (R)-2-amino-4-benzylthio-2-methylbutanoic acid. This reaction will need reagent Ranney nickel and solvent H2O. The reaction time is 12 hour(s). The yield is about 71%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@](N)(C)CC
(2)InChI: InChI=1/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
(3)InChIKey: GCHPUFAZSONQIV-RXMQYKEDBV
(4)Std. InChI: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
(5)Std. InChIKey: GCHPUFAZSONQIV-RXMQYKEDSA-N