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| CAS No.: | 2462-34-2 |
|---|---|
| Name: | L-Valine benzyl ester hydrochloride |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C12H18ClNO2 |
| Molecular Weight: | 243.733 |
| Synonyms: | L-Valine,phenylmethyl ester, hydrochloride (9CI);Valine, benzyl ester, hydrochloride(6CI,7CI);Valine, benzyl ester, hydrochloride, L- (8CI);(S)-Benzyl2-amino-3-methylbutanoate hydrochloride;Benzyl L-valinate hydrochloride; |
| Melting Point: | 138 °C |
| Boiling Point: | 285.5 °C at 760 mmHg |
| Flash Point: | 143.7 °C |
| Appearance: | crystalline |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 3.21540 |
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((S)-1-benzylcarbamoyl-2-methyl-propyl)-carbamic acid tert-butyl ester
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane at 20℃; Inert atmosphere; | 100% |
| Stage #1: ((S)-1-benzylcarbamoyl-2-methyl-propyl)-carbamic acid tert-butyl ester With trifluoroacetic acid at 20℃; for 1h; Stage #2: With hydrogenchloride In 1,4-dioxane; water | 85% |
| With hydrogenchloride In tetrahydrofuran; 1,4-dioxane at 0℃; for 12h; Inert atmosphere; | |
| With hydrogenchloride In ethyl acetate at 20℃; for 5h; |
| Conditions | Yield |
|---|---|
| Stage #1: L-valine With hydrogenchloride; iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Stage #2: benzyl alcohol In dichloromethane for 3h; Concentration; Reflux; | 98% |
| With thionyl chloride at 5℃; for 5.33333h; Heating; | 70% |
| Stage #1: L-valine; benzyl alcohol at 20 - 90℃; Stage #2: With sodium carbonate In water pH=10; Stage #3: With hydrogenchloride In diethyl ether | |
| With thionyl chloride at 20℃; Cooling with ice; Inert atmosphere; |
- 13734-41-3
t-Boc-L-valine
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: 85 percent / Et3N / dimethylformamide / 0 - 20 °C 2.1: TFA / 1 h / 20 °C 2.2: 85 percent / HCl / dioxane; H2O View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: 100 percent / Et3N / dioxane; H2O 2.1: 85 percent / Et3N / dimethylformamide / 0 - 20 °C 3.1: TFA / 1 h / 20 °C 3.2: 85 percent / HCl / dioxane; H2O View Scheme |
| Conditions | Yield |
|---|---|
| at 90℃; for 5h; Ionic liquid; Inert atmosphere; |
- 13734-41-3
t-Boc-L-valine
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: caesium carbonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere 1.2: 12 h / Inert atmosphere 2.1: hydrogenchloride / tetrahydrofuran; 1,4-dioxane / 12 h / 0 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 12 h / 20 °C / Inert atmosphere 2: hydrogenchloride / 1,4-dioxane / 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 16 h / 0 - 20 °C 2: hydrogenchloride / ethyl acetate / 5 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: caesium carbonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere 1.2: 12 h / Inert atmosphere 2.1: hydrogenchloride / tetrahydrofuran; 1,4-dioxane / 12 h / 0 °C / Inert atmosphere View Scheme |
- 437768-95-1
(S)-N(1)-(p-methoxybenzyl)-6-isopropylpiperazine-2,5-dione
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: boron trifluoride diethyl etherate / dichloromethane / 48 h / 0 - 20 °C / Inert atmosphere 2.1: ammonium cerium (IV) nitrate / acetonitrile; water / 18 h / 20 °C 3.1: dichloromethane / 18 h / 0 - 20 °C / Inert atmosphere 4.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C / Inert atmosphere 4.2: 18 h / -78 - 20 °C / Inert atmosphere 5.1: hydrogenchloride / acetonitrile; water / 18 h / 20 °C View Scheme |
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: ammonium cerium (IV) nitrate / acetonitrile; water / 18 h / 20 °C 2.1: dichloromethane / 18 h / 0 - 20 °C / Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C / Inert atmosphere 3.2: 18 h / -78 - 20 °C / Inert atmosphere 4.1: hydrogenchloride / acetonitrile; water / 18 h / 20 °C View Scheme |
- 2462-34-2
L-valine benzyl ester hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: dichloromethane / 18 h / 0 - 20 °C / Inert atmosphere 2.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C / Inert atmosphere 2.2: 18 h / -78 - 20 °C / Inert atmosphere 3.1: hydrogenchloride / acetonitrile; water / 18 h / 20 °C View Scheme |
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Chemistry
Molecular structure of L-Valine benzyl ester hydrochloride (CAS NO.2462-34-2) is:
Product Name: L-Valine benzyl ester hydrochloride
CAS Registry Number: 2462-34-2
IUPAC Name:benzyl 2-amino-3-methylbutanoate hydrochloride
Molecular Weight: 243.72982 [g/mol]
Molecular Formula: C12H18ClNO2
H-Bond Donor: 2
H-Bond Acceptor: 3
Melting Point: 138 °C
Refractive index: -10 ° (C=2, H2O)
Storage temp.: -20°C
Flash Point: 143.7 °C
Enthalpy of Vaporization: 52.45 kJ/mol
Boiling Point: 285.5 °C at 760 mmHg
Vapour Pressure: 0.0028 mmHg at 25°C
Safety Profile
WGK Germany: 3
Specification
L-Valine benzyl ester hydrochloride , its cas register number is 2462-34-2. It also can be called L-Valine,phenylmethyl ester, hydrochloride (9CI) ; Valine, benzyl ester, hydrochloride(6CI,7CI) ; Valine, benzyl ester, hydrochloride, L- (8CI) ; (S)-Benzyl2-amino-3-methylbutanoate hydrochloride .It is a crystalline.