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CAS No.: | 68858-20-8 |
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Name: | Fmoc-L-Valine |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C20H21NO4 |
Molecular Weight: | 339.391 |
Synonyms: | Fmoc-Val-OH;N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-valine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoate;Fmoc-L-Val-OH; |
EINECS: | 272-515-0 |
Density: | 1.229 g/cm3 |
Melting Point: | 143-145 °C(lit.) |
Boiling Point: | 551.8 °C at 760 mmHg |
Flash Point: | 287.5 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 36/37/39-26-22-27 |
PSA: | 79.12000 |
LogP: | 3.83870 |
Conditions | Yield |
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With sodium carbonate In 1,4-dioxane at 0 - 20℃; | 96% |
Stage #1: L-valine With sodium hydrogencarbonate In 1,4-dioxane; water Stage #2: (fluorenylmethoxy)carbonyl chloride In 1,4-dioxane; water at 0 - 20℃; | 70% |
With pyridine; HOBT bound to the polystyrene-divinylbenzene copolymer resin 1.) DMF, H2O, 25 deg C, 2.) DMF, H2O, 25 deg C; Yield given. Multistep reaction; |
L-valine
3-(9-Fluorenylmethoxycarbonyl)-benzothiazoline-2-thione
Fmoc-Val-OH
Conditions | Yield |
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With sodium hydroxide In 1,4-dioxane for 12h; Ambient temperature; | 91% |
Conditions | Yield |
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With sodium hydrogencarbonate In water; acetone Ambient temperature; | 90% |
Conditions | Yield |
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With triethylamine In water; acetonitrile for 1h; | 89% |
Conditions | Yield |
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With sodium carbonate In N,N-dimethyl-formamide for 0.166667h; Ambient temperature; | 87% |
With sodium hydrogencarbonate In water; acetone | 86% |
Stage #1: L-valine With N-cyclohexyl-cyclohexanamine In acetone at 20℃; Stage #2: N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide With sodium carbonate In water; acetonitrile at 0 - 20℃; pH=8; Stage #3: With potassium hydrogensulfate In water; acetonitrile pH=2 - 3; | 82% |
With sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 0 - 20℃; for 2h; | |
With sodium carbonate In 1,4-dioxane; water at 20℃; for 18h; |
L-valine
Fmoc-Val-OH
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 2h; | 86% |
L-valine
Carbonic acid 3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl ester 9H-fluoren-9-ylmethyl ester
Fmoc-Val-OH
Conditions | Yield |
---|---|
With tertiary amine In 1,4-dioxane; water for 3h; | 85% |
N-(9-fluorenylmethoxycarbonyl)valine 1,1-dimethylallyl ester
Fmoc-Val-OH
Conditions | Yield |
---|---|
With 4-methyl-morpholine; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 25℃; | 82% |
L-valine
Fmoc-Val-OH
Conditions | Yield |
---|---|
With triethylamine In water Ambient temperature; | 75% |
L-valine
Fmoc-Val-OH
Conditions | Yield |
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With potassium carbonate In acetone at 20℃; for 24h; | 75% |
The Fmoc-L-Valine is an organic compound with the formula C20H21NO4. The IUPAC name of this chemical is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid. With the CAS registry number 68858-20-8, it is also named as N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-valine. The product's categories are Protected Amino Acids; Fluorenes, Flurenones; Amino Acids; Valine [Val, V]; Fmoc-Amino Acids and Derivatives; Amino Acids (N-Protected); Biochemistry; Fmoc-Amino Acids; Fmoc-Amino Acid Series. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about Fmoc-L-Valine are: (1)ACD/LogP: 4.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 13.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 58.85; (7)ACD/KOC (pH 7.4): 1.81; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 93.13 cm3; (14)Molar Volume: 276.1 cm3; (15)Polarizability: 36.92×10-24cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.229 g/cm3; (18)Flash Point: 287.5 °C; (19)Enthalpy of Vaporization: 87.58 kJ/mol; (20)Boiling Point: 551.8 °C at 760 mmHg; (21)Vapour Pressure: 5.19E-13 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. Please take off immediately all contaminated clothing. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C(C)C
(2)InChI: InChI=1/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
(3)InChIKey: UGNIYGNGCNXHTR-SFHVURJKBY
(4)Std. InChI: InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
(5)Std. InChIKey: UGNIYGNGCNXHTR-SFHVURJKSA-N