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Cas Database

Name	Isoleucine	EINECS	200-798-2
CAS No.	73-32-5	Density	1.036 g/cm³
PSA	63.32000	LogP	1.14470
Solubility	41.2 g/L (50 °C) in water	Melting Point	288 °C (dec.)(lit.)
Formula	C₆H₁₃NO₂	Boiling Point	225.772 °C at 760 mmHg
Molecular Weight	131.175	Flash Point	90.344 °C
Transport Information	N/A	Appearance	White crystalline powder
Safety	24/25-36-22	Risk Codes	40
Molecular Structure		Hazard Symbols	Xn
Synonyms	(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;查看更多英文别名收起	Article Data	209

Isoleucine Synthetic route

: Poc-Ile-OH

: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With resin bound tetrathiomolybdate In methanol at 28℃; for 1.5h; ultrasonic bath;	100%

: 71989-23-6
Fmoc-Ile-OH

: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether In N,N-dimethyl-formamide for 9h; Ambient temperature;	98%

: 13139-16-7
N-(tert-butyloxycarbonyl)-L-isoleucine

: 73-32-5
L-isoleucine

Conditions

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;

Boc-Ile-Merrifield resin: Boc-Ile-Merrifield resin

: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With dimethyl ether-poly(hydrogen fluoride) at 0℃; for 1h;	93%

: (2S,3S)-3-Methyl-2-[2-methyl-2-(2-nitro-phenyl)-propionylamino]-pentanoic acid benzyl ester

A: 19155-24-9
3,3-dimethyloxindole

B: 32353-29-0
1,3-dihydro-3,3-dimethyl-1-hydroxy-H-indol-2-one

C: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With hydrogen; acetic acid; palladium on activated charcoal In methanol for 0.5h;	A n/a B n/a C 85%

: 5860-63-9, 45895-88-3, 45895-89-4, 45895-90-7, 51829-75-5
(S)-4-((S)-sec-butyl)oxazolidine-2,5-dione

: 56-40-6
L-Glycin

A: 73-32-5
L-isoleucine

B: 868-28-0
isoleucyl‐glycine

C: 462-60-2
N-carbamoylglycine

D oligomers of ile: oligomers of ile

Conditions

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

...Expand

: C6H13NO2*H3N*ClH

: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With ruthenium nanoparticles dispersed in a polyvinylpyrrolidone matrix; amberlyst A-21 In methanol; dichloromethane	75%

: 26117-19-1
(2S,3S)-3-methyl-2-ureidopentanoic acid

: 73-32-5
L-isoleucine

Conditions

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;

: DL-α-keto-β-methyl-n-valerate

A: 319-78-8, 443-79-8, 1509-34-8, 1509-35-9, 3107-04-8, 7004-09-3, 73-32-5
isoleucine

B: 73-32-5
L-isoleucine

Conditions

Conditions	Yield
With ammonium formate; tris hydrochloride; nicotinamide adenine dinucleotide; formate dehydrogenase; phenylalanine dehydrogenase In water at 30℃; for 24h;	A 50% B 48%

: (2RS,3S)-2-amino-3-methylpentanoic acid

A: 73-32-5
L-isoleucine

B: 1509-35-9
D-alloisoleucine

Conditions

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

Isoleucine Consensus Reports

Reported in EPA TSCA Inventory.

Isoleucine Specification

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.

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