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CAS No.: | 640-68-6 |
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Name: | D-Valine |
Article Data: | 124 |
Molecular Structure: | |
Formula: | C5H11NO2 |
Molecular Weight: | 117.148 |
Synonyms: | H-D-Val-OH;D-Valin;Valine, D-;(2R)-2-amino-3-methyl-butanoic acid;(2R)-2-amino-3-methylbutanoic acid;(R)-2-Amino-3-methylbutyric acid;(R)-Valine;(R)-2-Amino-3-methylbutanoic acid;-Valine; |
EINECS: | 211-368-9 |
Density: | 1.063 g/cm3 |
Melting Point: | >295 °C (subl.)(lit.) |
Boiling Point: | 213.6 °C at 760 mmHg |
Flash Point: | 83 °C |
Solubility: | 56 g/L (20 °C ) |
Appearance: | white to off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 63.32000 |
LogP: | 0.75460 |
(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 |
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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 |
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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 |
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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 |
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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 |
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. |