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CAS No.: | 1509-34-8 |
---|---|
Name: | L-ALLO-ISOLEUCINE |
Article Data: | 81 |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.175 |
Synonyms: | Alloisoleucine(6CI);Alloisoleucine, L- (8CI);(3R)-LS-Isoleucine;Pentanoic acid,2-amino-3-methyl-, [S-(R*,S*)]-;[S-(R*,S*)]-2-Amino-3-methylpentanoic acid;allo-Isoleucine;NSC 206282;Allo-L-Isoleucine;L(+)-Alloisoleucine;L-Isoleucine, allo-;L-Isoleucine, threo-;L-Norvaline,3-methyl-, threo-; |
EINECS: | 216-142-3 |
Density: | 1.035 g/cm3 |
Melting Point: | ~285 °C |
Boiling Point: | 225.8 °C at 760 mmHg |
Flash Point: | 90.3 °C |
Solubility: | 28.18g/L(20 oC) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 63.32000 |
LogP: | 1.14470 |
(2S,3R)-(+)-2-Amino-3-methylpent-4-enoic acid
D-allo-isoleucine
Conditions | Yield |
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With hydrogen; platinum(IV) oxide In water at 20℃; for 15h; Catalytic hydrogenation; | 98% |
N-[(2S,3R)-2-amino-3-methylpentanoyl]-(1R,2S)-bornane-2,10-sultam
D-allo-isoleucine
Conditions | Yield |
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With lithium hydroxide Substitution; | 92% |
Conditions | Yield |
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With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water | A 32% B n/a |
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water | A n/a B 22% |
(2R,3R)-2-bromo-3-methylpentanoic acid
D-allo-isoleucine
Conditions | Yield |
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bei der Ueberfuehrung in das (Carboxymetyl)-amid, folgenden Aminierung und Hydrolyse; |
N-formyl-L-alloisoleucine
D-allo-isoleucine
Conditions | Yield |
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With hydrogen bromide |
(S)-1-phenyl-ethylamine
A
D-allo-isoleucine
B
L-isoleucine
C
D-Isoleucine
D
D-alloisoleucine
Conditions | Yield |
---|---|
Product distribution; Rate constant; multistep reaction; |
(2S,3R)-2-Azido-3-methyl-pentanoic acid (1R,2S,4S)-1-[(dicyclohexylsulfamoyl)-methyl]-7,7-dimethyl-bicyclo[2.2.1]hept-2-yl ester
A
D-allo-isoleucine
B
L-isoleucine
C
D-Isoleucine
D
D-alloisoleucine
Conditions | Yield |
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With titanium tetrakis(benzyl alkoxide); hydrogen; Pd-BaSO4 1.) benzyl alcohol, 130 gradC 2.) EtOH, EtOAc, 1 atm, r.t.; Yield given. Multistep reaction. Title compound not separated from byproducts; |
Conditions | Yield |
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at 37℃; |
(R)-3-methylpentanoic acid
D-allo-isoleucine
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: 83 percent / SOCl2 2.1: 82 percent / NaH 3.1: NaH(TMS)2 / tetrahydrofuran / 1 h / -78 °C 3.2: 80 percent / 1-chloro-1-nitrosocyclohexane / tetrahydrofuran / 1 h / -78 °C 4.1: 77 percent / Zn powder; aq. HCl / acetic acid / 48 h / 0 °C 5.1: 92 percent / LiOH View Scheme |
The L-allo-Isoleucine, with the CAS registry number 1509-34-8, is also known as L-allo-Isoleucine. It belongs to the product category of Amino Acids. Its EINECS registry number is 216-142-3. This chemical's molecular formula is C6H13NO2 and molecular weight is 131.17. What's more, its IUPAC name is called 2-Amino-3-methylpentanoic acid. It can be used in biochemical research.
Physical properties about L-allo-Isoleucine are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -1.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 34.86 cm3; (15)Molar Volume: 126.6 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.035 g/cm3; (18)Flash Point: 90.3 °C; (19)Enthalpy of Vaporization: 50.93 kJ/mol; (20)Boiling Point: 225.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0309 mmHg at 25°C; (22)Melting Point: 285 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should 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](N)[C@H](C)CC
(2) InChI: InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
(3) InChIKey: AGPKZVBTJJNPAG-RFZPGFLSBP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 6954mg/kg (6954mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955. |