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CAS No.: | 73-32-5 |
---|---|
Name: | L-Isoleucine |
Article Data: | 209 |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.175 |
Synonyms: | 查看更多英文别名查看更多英文别名 | "> (2S,3S)-Ile;L-Isoieucine;L-Isoleucine;Z-(s,S)-isoleucine;H-L-ILE-OH;H-lle-OH;L-Ile (2S,3S);N-methyl Ile;H-ILE-OH;L-Isoleusine;L(+)-Isoleucin;(2S,3S)-2-Amino-3-methylpentanoicacid;ILE;(S)-isoleucin;Isoleucin;
EINECS: | 200-798-2 |
Density: | 1.036 g/cm3 |
Melting Point: | 288 °C (dec.)(lit.) |
Boiling Point: | 225.772 °C at 760 mmHg |
Flash Point: | 90.344 °C |
Solubility: | 41.2 g/L (50 °C) in water |
Appearance: | White crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 40 |
Safety: | 24/25-36-22 |
PSA: | 63.32000 |
LogP: | 1.14470 |
L-isoleucine
Conditions | Yield |
---|---|
With resin bound tetrathiomolybdate In methanol at 28℃; for 1.5h; ultrasonic bath; | 100% |
Fmoc-Ile-OH
L-isoleucine
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether In N,N-dimethyl-formamide for 9h; Ambient temperature; | 98% |
N-(tert-butyloxycarbonyl)-L-isoleucine
L-isoleucine
Conditions | Yield |
---|---|
With tetradecyl(trihexyl)phosphonium bistriflamide; trifluoroacetic acid at 130℃; for 0.166667h; Ionic liquid; | 98% |
With trifluoroacetic acid at 20℃; for 0.25h; |
L-isoleucine
Conditions | Yield |
---|---|
With dimethyl ether-poly(hydrogen fluoride) at 0℃; for 1h; | 93% |
A
3,3-dimethyloxindole
B
1,3-dihydro-3,3-dimethyl-1-hydroxy-H-indol-2-one
C
L-isoleucine
Conditions | Yield |
---|---|
With hydrogen; acetic acid; palladium on activated charcoal In methanol for 0.5h; | A n/a B n/a C 85% |
(S)-4-((S)-sec-butyl)oxazolidine-2,5-dione
L-Glycin
A
L-isoleucine
B
isoleucyl‐glycine
C
N-carbamoylglycine
Conditions | Yield |
---|---|
With water; potassium hydroxide; potassium borate buffer at 3℃; Product distribution; effect of use of various amino acid and NCA with various concentrations; effect of use various temp.; extent of hydrolysis; | A n/a B 83.9% C n/a D n/a |
L-isoleucine
Conditions | Yield |
---|---|
With ruthenium nanoparticles dispersed in a polyvinylpyrrolidone matrix; amberlyst A-21 In methanol; dichloromethane | 75% |
(2S,3S)-3-methyl-2-ureidopentanoic acid
L-isoleucine
Conditions | Yield |
---|---|
With NH4Cl-NH4OH buffer pH 8.5; nickel dichloride at 60℃; for 24h; N-carbamyl-L-amino acid aminohydrolase; | 55% |
With sodium phosphate buffer; N-carmamyl-L-amino acid aminohydrolase of Pseudomonas sp. strain NS671; water; manganese(II) at 30℃; for 0.5h; Product distribution; | 17.1 mmol |
With Tris-HCl buffer; N-carbamoyl-L-amino acid hydrolase; iron(II) sulfate at 30℃; for 2h; |
B
L-isoleucine
Conditions | Yield |
---|---|
With ammonium formate; tris hydrochloride; nicotinamide adenine dinucleotide; formate dehydrogenase; phenylalanine dehydrogenase In water at 30℃; for 24h; | A 50% B 48% |
Conditions | Yield |
---|---|
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water | A n/a B 50% |
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; water | A 24% B n/a |
Reported in EPA TSCA Inventory.
Isoleucine is an α-amino acid with the chemical formula HO2CCH(NH2)CH(CH3)CH2CH3. With the CAS NO.73-32-5, it also called (2S,3S)-2-Amino-3-methylpentansαure; (2s,3s)-alpha-amino-beta-merthylvalericacid; (2s,3s)-alpha-amino-beta-methyl-n-valericacid; (s-(r*,r*))-2-amino-3-methylpentanoicaci; (s-(r*,r*))-2-amino-3-methylpentanoicacid; (S,S)-2-amino-3-methyl-pentanoicacid; (s,s)-isoleucine; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid. And it is a white crystals or crystalline solid. Isoleucine can be used in biochemical research, and in medicine used for nutritional supplements.
Physical properties about Isoleucine are: (1)ACD/LogP: 0.799; (2)ACD/LogD (pH 5.5): -1.70; (3)ACD/LogD (pH 7.4): -1.70; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 34.863 cm3; (13)Molar Volume: 126.632 cm3; (14)Polarizability: 13.821 10-24cm3; (15)Surface Tension: 39.0019989013672 dyne/cm; (16)Density: 1.036 g/cm3; (17)Flash Point: 90.344 °C; (18)Enthalpy of Vaporization: 50.93 kJ/mol; (19)Boiling Point: 225.772 °C at 760 mmHg; (20)Vapour Pressure: 0.0309999994933605 mmHg at 25°C
Preparation of Isoleucine: Isoleucine(CAS NO.73-32-5) can be produced with sugar, ammonia, D-threonine as raw material.Serratia spp race (Serratia marcescens) fermentation derived. Or with sugar, ammonia, α-amino butyric acid as raw material.And it derived from yellow cocci (Micrococcus flavum), or Bacillus subtilis (Bacillus subtilis; Aerobactor) fermentation.
When you are using this chemical, please be cautious about it as the following:
1. Avoid contact with skin and eyes
2. Wear suitable protective clothing
3. Do not breathe dust
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1;
(2)InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N;
(3)SmilesC([C@H]([C@H](CC)C)N)(O)=O;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 6822mg/kg (6822mg/kg) | Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955. | |
rat | LD50 | intraperitoneal | 6822mg/kg (6822mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955. |