((S)-1-benzylcarbamoyl-2-methyl-propyl)-carbamic acid tert-butyl ester
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; |
t-Boc-L-valine
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; |
t-Boc-L-valine
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 |
(S)-N(1)-(p-methoxybenzyl)-6-isopropylpiperazine-2,5-dione
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 |
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 |
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 |
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C / Inert atmosphere 1.2: 18 h / -78 - 20 °C / Inert atmosphere 2.1: hydrogenchloride / acetonitrile; water / 18 h / 20 °C View Scheme |
A
L-valine benzyl ester hydrochloride
B
ethyl (2R)-2-aminobutanoate hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetonitrile at 20℃; for 18h; |
O-benzyl 2,2,2-trichloroacetimidate
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 |
Conditions | Yield |
---|---|
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 |
4-methoxy-benzaldehyde
L-valine benzyl ester hydrochloride
C20H23NO3
Conditions | Yield |
---|---|
With sodium carbonate In methanol at 20℃; for 18h; | 100% |
L-valine benzyl ester hydrochloride
(S)-3-methyl-2-(2-trifluoromethyl-acryloylamino)-butyric acid benzyl ester
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In dichloromethane at 20℃; for 2h; aza-Michael addition; | 98% |
(R)-N-Boc-3,5-dibenzoxyphenylglycine
L-valine benzyl ester hydrochloride
C39H44N2O7
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 98% |
With sodium hydrogencarbonate; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one In N,N-dimethyl-formamide at 0 - 20℃; for 25h; |
Fmoc-Pro-OH
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
Stage #1: L-valine benzyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere; Stage #2: Fmoc-Pro-OH With benzotriazol-1-ol In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Stage #3: With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere; | 98% |
Stage #1: Fmoc-Pro-OH; L-valine benzyl ester hydrochloride With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 0.25h; Inert atmosphere; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 2h; | 97% |
N-tert-butoxycarbonyl-L-phenylalanine
L-valine benzyl ester hydrochloride
benzyl (tert-butoxycarbonyl)-L-phenylalanyl-L-valinate
Conditions | Yield |
---|---|
With C14H16B2O6 In toluene at 80℃; for 48h; Molecular sieve; | 97% |
L-valine benzyl ester hydrochloride
Boc-Asp(OcHex)-Val-OBzl
Conditions | Yield |
---|---|
With 4-methyl-morpholine In tetrahydrofuran at 20℃; for 24h; Substitution; | 96% |
BOC-L-aspartic acid 4-benzyl ester
L-valine benzyl ester hydrochloride
Boc-Asp(OBzl)-Val-OBzl
Conditions | Yield |
---|---|
Stage #1: BOC-L-aspartic acid 4-benzyl ester With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran for 0.333333h; Cooling with ice; Stage #2: L-valine benzyl ester hydrochloride With 4-methyl-morpholine In tetrahydrofuran at 20℃; for 24h; | 96% |
Stage #1: BOC-L-aspartic acid 4-benzyl ester With 1-hydroxybenzotriazol-hydrate; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.5h; Stage #2: L-valine benzyl ester hydrochloride With 4-methyl-morpholine In tetrahydrofuran at 20℃; for 8h; pH=8.5; Further stages.; | 95% |
(S)-2-Hydroxy-3-methylbutanoic acid
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃; | 95% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 0 - 20℃; | 92% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; | 92% |
With potassium carbonate; dicyclohexyl-carbodiimide 1.) water, 2.) CH2Cl2, 15 deg C, 5 h; Yield given. Multistep reaction; |
t-Boc-L-valine
L-valine benzyl ester hydrochloride
(S)-benzyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)-3-methylbutanoate
Conditions | Yield |
---|---|
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; Acylation; | 95% |
L-valine benzyl ester hydrochloride
carbonochloridic acid, chloromethyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 0.5h; | 95% |
L-valine benzyl ester hydrochloride
N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole
Conditions | Yield |
---|---|
Stage #1: L-valine benzyl ester hydrochloride With sodium hydroxide In water; ethyl acetate for 0.333333h; pH=10 - 12; Stage #2: N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole In ethyl acetate at 55 - 60℃; Stage #3: With phosphonic Acid In ethyl acetate for 1h; | 95% |
L-valine benzyl ester hydrochloride
N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole
Conditions | Yield |
---|---|
Stage #1: L-valine benzyl ester hydrochloride With sodium hydroxide In water pH=10 - 12; Stage #2: N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole In ethyl acetate at 55 - 60℃; Stage #3: With phosphorous acid In ethyl acetate for 1h; | 95% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃; | 95% |
With sodium hydrogencarbonate In dichloromethane; water | 95% |
L-valine benzyl ester hydrochloride
(3S)-2-tert-butoxycarbonyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
N-[(3S)-N-Boc-1,2,3,4-tetrahydro-β-carboline-3-carboxyl]-L-valine benzyl ester
Conditions | Yield |
---|---|
With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 18h; | 94% |
With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 18h; pH=8 - 9; | 94% |
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
Stage #1: L-valine benzyl ester hydrochloride With sodium carbonate In acetonitrile at 20℃; for 16h; Stage #2: With 1-(fluorosulfuryl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate at 20℃; for 1h; | 94% |
(C5H9O2)(NHCHCO)2(C4H9)(C3H7)(NHC4H4NO3)
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In acetonitrile | 93% |
Conditions | Yield |
---|---|
Stage #1: L-valine benzyl ester hydrochloride With triethylamine In dichloromethane at -78℃; for 0.0833333h; Schlenk technique; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at -78℃; Schlenk technique; | 93% |
2-(3-(trifluoromethoxy)phenyl)acetic acid
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide Cooling with ice; | 92.5% |
formic acid cyanomethyl ester
L-valine benzyl ester hydrochloride
N-Formyl-L-valine benzyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 12h; Ambient temperature; | 92% |
L-N-Boc-Ala
L-valine benzyl ester hydrochloride
Boc-L-Ala-L-Val-OBzl
Conditions | Yield |
---|---|
With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; | 92% |
2,3-dihydro-1,4-benzodioxin-6-carboxylic acid
L-valine benzyl ester hydrochloride
(S)-benzyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-3-methylbutanoate
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 25℃; for 18h; Inert atmosphere; | 92% |
L-valine benzyl ester hydrochloride
(E)-3-(4,4,4-trifluorobut-2-enoyl)oxazolidin-2-one
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine In dichloromethane at 20℃; for 68h; Addition; | 90% |
L-valine benzyl ester hydrochloride
L-valine benzyl ester
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0 - 5℃; for 0.166667h; | 90% |
With sodium hydrogencarbonate In water pH=8 - 9; | |
With sodium carbonate In water |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 90℃; for 12h; Molecular sieve; Sealed tube; Green chemistry; | 90% |
L-valine benzyl ester hydrochloride
Conditions | Yield |
---|---|
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; triethylamine In dichloromethane at 20℃; for 24h; | 90% |
L-valine benzyl ester hydrochloride
(2-trifluoromethyl-acryloylamino)-acetic acid benzyl ester
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In tetrachloromethane at 20℃; for 2h; aza-Michael addition; | 89% |
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
WGK Germany: 3
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.
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