(R)-2-azido-3-methylbutanoic acid
D-Val-OH
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In water; acetic acid under 760 Torr; for 3h; | 99% |
Conditions | Yield |
---|---|
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; triethyl phosphite In aq. phosphate buffer; acetonitrile at 20℃; for 0.5h; pH=6.5; Irradiation; | 96% |
Conditions | Yield |
---|---|
95% |
D-Val-OH
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran at 20℃; for 3h; Hydrolysis; | 88% |
(R)-N-benzylvaline
D-Val-OH
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In acetic acid for 24h; | 83% |
4-<(2R,5S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxy-5-pyrazinyl>butylamine
A
D-Val-OH
B
L-Lysine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride at 70℃; | A n/a B 80% |
With hydrogenchloride at 70℃; |
D-Val-OH
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In water; toluene at 105℃; for 42h; | 64% |
D-Val-OH
Conditions | Yield |
---|---|
With ammonia; lithium In tetrahydrofuran; tert-butyl alcohol at -78℃; for 0.5h; | 62% |
(R)-3-Methyl-2-((R)-2-oxo-4-phenyl-oxazolidin-3-yl)-butyric acid
D-Val-OH
Conditions | Yield |
---|---|
With ammonia; lithium In tetrahydrofuran; tert-butyl alcohol at -78℃; for 0.5h; Birch reduction; | 62% |
Conditions | Yield |
---|---|
With D-Alanine; meso-diaminopimelate dehydrogenase; pyridoxal 5'-phosphate; alcohol dehydrogenases from Bacillus stearothermophilus; alcohol dehydrogenases from Thermoanaerobacter brockii; NADH In isopropyl alcohol at 35℃; for 9h; pH=8; Reagent/catalyst; Enzymatic reaction; enantioselective reaction; | 55.6% |
With D-glucose; Bacillus subtilis glucose dehydrogenase; Symbiobacterium thermophilum meso-Diaminopimelate dehydrogenase W121L/H227I mutant; NADP; ammonium chloride In aq. buffer at 37℃; for 24h; pH=8.5; Kinetics; Reagent/catalyst; Enzymatic reaction; | 52% |
With D-amino acid transaminase; D-Alanine; R-selective ω-transaminase from Arthrobacter sp; (3-hydroxy-5-hydroxymethyl)-2-methylisonicotinic acid 5-phosphate; isopropylamine In aq. phosphate buffer for 7h; pH=7; | n/a |
With D-Glucose; Bacillus megaterium glucose dehydrogenase; ammonia; Symbiobacterium thermophilum mesodiaminopimelate dehydrogenase Enzymatic reaction; | n/a |
Conditions | Yield |
---|---|
nickel In water for 1h; Product distribution; Ambient temperature; further amounts of catalyst; | A 45% B n/a |
(-)-1-<(1-cyano-2-methylpropyl)amino>-2R-methyl-5R-(1-methylethenyl)-cyclohexane-1R,3R-dicarbonitrile
D-Val-OH
Conditions | Yield |
---|---|
With hydrogenchloride at 110℃; for 12h; | 23% |
D-Val-OH
Conditions | Yield |
---|---|
With hydrogenchloride for 6h; Heating; | 11% |
Conditions | Yield |
---|---|
durch Vergaerung mit Hefe unter Zusatz von Zucker; | |
mit Hilfe eines Enzym-Praeparats aus Crotalus adamanteus; | |
crystallization with L-Phe (1:2 ratio) from water-ethanol (pH 5-6) at 0 deg C; |
N-formylvaline
D-Val-OH
Conditions | Yield |
---|---|
With brucine anschliessend Hydrolyse des erhaltenen Formyl-l-valins mit 10prozentiger Bromwasserstoffsaeure; |
N-chloroacetyl-D-valine
D-Val-OH
Conditions | Yield |
---|---|
With hydrogenchloride Hydrolysis; | |
In water at 37℃; for 0.166667h; Rate constant; D-aminocyclase from Alcaligenes denitrificans DA181, pH 7.8, bovine serum albumin; |
Conditions | Yield |
---|---|
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
D-Val-OH
Conditions | Yield |
---|---|
With lithium hydroxide; ion exchange 1.) THF; Yield given. Multistep reaction; |
(3R,6R)-2,5-diethoxy-6-isopropyl-3-<1'-13C>-carboxymethyl-3-methyl-6-hydropyrazine
A
D-Val-OH
B
(2R)-<1-13C>-2-amino-2-methylmalonic acid
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide 1) CH3CN, RT, 18h, 2) 70 deg C, 15 min; Multistep reaction; |
δ-(L-α-aminoadipoyl)-L-serine-D-valine
A
D-Val-OH
B
L-serin
C
L-homoglutamic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 110℃; for 21h; Product distribution; |
(R)-3-Methyl-2-((S)-1-phenyl-ethylamino)-butyric acid
D-Val-OH
Conditions | Yield |
---|---|
With palladium hydroxide - carbon for 24h; Yield given; |
D,L-valine
(S)-2-{(N-benzyl-2-pyrrolidinyl)carbonylamino}benzaldehyde
A
D-Val-OH
B
L-valine
Conditions | Yield |
---|---|
With hydrogenchloride; sodium methylate; nickel(II) nitrate Product distribution; 1.) MeOH, 40 deg C, 24 h, 2.) reflux; |
Conditions | Yield |
---|---|
resolution of underivatized amino acids enantiomers by liquid chromatography using a chiral eluant Cu(L-Pro)2 and a reversed-phase column; other chiral eluants, pH dependence; |
(2S,5S)-N-<(S)-N-bis(methylthio)methylenevalyl>-2,5-bis(methoxymethoxymethyl)pyrrolidine
A
D-Val-OH
B
L-valine
Conditions | Yield |
---|---|
With hydrogenchloride for 4h; Heating; Yield given; |
(R)-2-[((R)-Carboxy-phenyl-methyl)-amino]-3-methyl-butyric acid
D-Val-OH
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal |
(S)-2-<(R)-2-hydroxy-1-phenylethylamino>-3-methylbutanoic acid
A
D-Val-OH
B
L-valine
Conditions | Yield |
---|---|
With formic acid In methanol; water Ambient temperature; Yield given. Yields of byproduct given; |
(2R,2'R)-N-(2'-amino-3'-methylbutanoyl)bornane-10,2-sultam hydrochloride
D-Val-OH
Conditions | Yield |
---|---|
With lithium hydroxide; Amberlite IR-120 1) THF, room temperature, 2) H2O, room temperature, 15 h; Yield given. Multistep reaction; |
A
D-Val-OH
B
(2S,3S)-3-methylaspartic acid
C
erythro-β-methyl-L-aspartate
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide 1.) acetonitrile, RT, 12 h, 2.) acetonitrile, 70 deg C, 15 min; Yield given. Multistep reaction. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
Yield given. Multistep reaction. Yields of byproduct given; | |
With hydrogenchloride; sodium hydroxide; S-2-N-(N'-benzylprolyl)aminibenzophenone; sodium methylate 1.) methanol, 2.) DMF, 20 deg C, 30 min, 3.) methanol, reflux; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With thionyl chloride for 4h; Heating; | 100% |
With thionyl chloride | |
With thionyl chloride at 20℃; |
Conditions | Yield |
---|---|
In water for 0.166667h; pH=Ca. 3.3 - 3.9; Cooling with ice; | 100% |
Conditions | Yield |
---|---|
In toluene for 4h; Reflux; | 99.8% |
D-Val-OH
(R)-2-Hydroxy-3-methylbutyric acid
Conditions | Yield |
---|---|
With sulfuric acid; water; sodium nitrite at 60℃; Flow reactor; | 99% |
With sulfuric acid; sodium nitrite In water at 60℃; under 5171.62 Torr; Inert atmosphere; | 80% |
With sulfuric acid; sodium nitrite In water at 0 - 20℃; for 12h; | 65% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran; water for 16h; Reflux; | 99% |
With sodium hydrogencarbonate In water | 94% |
With sodium hydroxide In tetrahydrofuran; water for 2h; | 92% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 45 - 50℃; | 99% |
D-Val-OH
3-chloro-4-fluoro benzotrifluoride
2-(2-chloro-α,α,α-trifluoro-p-toluidino)-3-methylbutyric acid
Conditions | Yield |
---|---|
With potassium carbonate | 99% |
Conditions | Yield |
---|---|
With triethylamine In methanol at 20℃; for 24h; | 98.5% |
Conditions | Yield |
---|---|
With thionyl chloride 1.) -15 deg C, 40 min, 2.) 40 deg C, 2 h; | 98% |
With thionyl chloride at 20℃; | 96% |
With thionyl chloride at 20℃; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
Stage #1: D-Val-OH With pyridine; chloro-trimethyl-silane In dichloromethane for 1.16667h; Stage #2: n-dodecanoyl chloride In dichloromethane at 0 - 20℃; for 1.83333h; Enzymatic reaction; | 98% |
Stage #1: n-dodecanoyl chloride; D-Val-OH With sodium hydroxide In water; acetone at 0 - 5℃; Stage #2: With hydrogenchloride In water; acetone pH=1; |
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 12h; Darkness; | 98% |
D-Val-OH
2,2,2-trifluoroethyl chloroformate
Conditions | Yield |
---|---|
With sodium hydroxide In water; toluene at 5 - 10℃; for 1h; pH=12; | 97.3% |
D-Val-OH
(1S,3E)-5-<(2,5-dioxo-1-pyrrolidinyl)oxy>-1-<(1R,2E)-1-methyl-3-phenyl-2-propenyl>-5-oxo-3-pentenyl-(2S)-<3-<<(1,1-dimethylethoxy)carbonyl>amino>-2,2-dimethyl-1-oxopropoxy>-4-methylpentanoate
N-<(1,1-dimethylethoxy)carbonyl>-2,2-dimethyl-β-alanyl-(2S)-2-hydroxy-4-(methylpentanoyl)-(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenyl-2,7-octadienoyl-D-valine
Conditions | Yield |
---|---|
With N,O-bis-(trimethylsilyl)-acetamide In N,N-dimethyl-formamide at 55 - 60℃; | 96% |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In water at 20℃; under 760.051 Torr; for 120h; | 96% |
With hydrogen; palladium on activated charcoal In water at 20℃; | |
With 5%-palladium/activated carbon; hydrogen In water at 20℃; for 120h; | |
With sodium cyanoborohydride In water for 0.5h; Cooling with ice; |
D-Val-OH
(fluorenylmethoxy)carbonyl chloride
N-(9-fluorenylmethoxycarbonyl)-D-valine
Conditions | Yield |
---|---|
With sodium carbonate In 1,4-dioxane at 0 - 20℃; | 96% |
With sodium carbonate In 1,4-dioxane; water at 0 - 20℃; for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
With thionyl chloride at 0℃; Reflux; | 95% |
With hydrogenchloride | |
With hydrogenchloride |
[Pd(2-phenylpyridine-C(2),N')(μ-Cl)]2
D-Val-OH
Conditions | Yield |
---|---|
With NaOMe In methanol N2-atmosphere; dropwise addn. of 1 equiv. NaOMe to aminoacid, gentle heating to dissoln., addn. of stoich. amt. Pd-complex, stirring for 14-18 h; centrifugation, solvent removal (vac.), extn. into DMF, solvent removal (vac.), washing (water), drying (vac., 60°C, 9 h); elem. anal.; | 95% |
Conditions | Yield |
---|---|
With sodium hydroxide at 0℃; | 95% |
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 24h; Inert atmosphere; | 94.8% |
formaldehyd
D-Val-OH
butane-2,3-dione mono-oxime
(R)-2-(4,5-Dimethyl-3-oxy-imidazol-1-yl)-3-methyl-butyric acid
Conditions | Yield |
---|---|
In ethanol for 3h; Heating; | 94% |
Conditions | Yield |
---|---|
With D-myo-inositol; copper; caesium carbonate In water at 100℃; for 10h; | 94% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate Acylation; | 93% |
With sodium hydrogencarbonate at 0 - 20℃; | 93% |
With sodium hydrogencarbonate at 0 - 20℃; | 93% |
Conditions | Yield |
---|---|
With pyrographite In tetrahydrofuran at 60℃; for 1h; | 93% |
Conditions | Yield |
---|---|
With p-toluenesulfonyl chloride for 20h; Heating; | 93% |
phthalic anhydride
D-Val-OH
(R)-N-phthaloylvaline
Conditions | Yield |
---|---|
With triethylamine In toluene Heating; | 92% |
at 150℃; | |
With triethylamine In toluene Reflux; Inert atmosphere; |
Conditions | Yield |
---|---|
With lithium borohydride; chloro-trimethyl-silane In tetrahydrofuran at 20℃; for 0.25h; Reduction; | 92% |
With sodium tetrahydroborate; iodine In tetrahydrofuran Inert atmosphere; | 91% |
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 17h; Reflux; | 74% |
D-Val-OH
isobutyraldehyde
butane-2,3-dione mono-oxime
1-α-Carboxyisobutyl-2-isopropyl-4,5-dimethylimidazol-3-oxid
Conditions | Yield |
---|---|
In acetic acid for 1h; Heating; | 92% |
The D-Valine is an organic compound with the formula C5H11NO. The IUPAC name of this chemical is (2R)-2-amino-3-methylbutanoic acid. With the CAS registry number 640-68-6, it is also named as D-2-Aminoisovaleric acid. The product's categories are Amino Acids Derivatives; Amino Acids Series; Valine [Val, V]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids and Derivatives. Besides, it is a white to off-white crystalline powder, which can be used as raw materials and intermediates for drug, it is also used in the synthesis of low-amphibolite sweetener. It is mainly applied in chiral medicine, chiral additive, helping the medicinal preparation and so on. It uses as chrial source of chiral synthesis in drugs manufacuture.
Physical properties about D-Valine are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): -2.3; (3)ACD/LogD (pH 7.4): -2.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 30.23 cm3; (14)Molar Volume: 110.1 cm3; (15)Polarizability: 11.98×10-24cm3; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.063 g/cm3; (18)Flash Point: 83 °C; (19)Enthalpy of Vaporization: 49.58 kJ/mol; (20)Boiling Point: 213.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0633 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)C(C)C
(2)InChI: InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
(3)InChIKey: KZSNJWFQEVHDMF-SCSAIBSYBL
(4)Std. InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: KZSNJWFQEVHDMF-SCSAIBSYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 6093mg/kg (6093mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956. |
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