DL-Isoleucine

The IUPAC name of DL-Isoleucine is 2-amino-3-methylpentanoic acid. With the CAS registry number 443-79-8, it is also named as alpha-Amino-beta-methylvaleric acid. The product's categories are Isoleucine [Ile, I]; alpha-Amino Acids; Amino Acids; Biochemistry, and the other registry numbers are 198412-80-5; 19883-67-1; 205879-85-2; 224311-99-3; 228416-77-1; 676371-21-4. Besides, it is white powder, which is stable, and incompatible with strong oxidizing agents. In addition, its molecular formula is C₆H₁₃NO₂ and molecular weight is 131.17.

The other characteristics of this product can be summarized as: (1)EINECS: 207-139-8; (2)ACD/LogP: 0.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.77; (5)ACD/LogD (pH 7.4): -1.77; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 4; (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)Melting point: 210 °C; (20)Water solubility: 22.3 g/L (25 °C); (21)Enthalpy of Vaporization: 50.93 kJ/mol; (22)Boiling Point: 225.8 °C at 760 mmHg; (23)Vapour Pressure: 0.0309 mmHg at 25 °C.

Preparation of DL-Isoleucine: frist, you can use 2-Bromo-3-methylvaleric acid to react with stronger ammonia water for 7 days at room temperature. And then concentrate the reaction solution. At last, you would obtain the pure chemical after dissolved in water, and decolorization with active carbon.

Uses of DL-Isoleucine: this chemical can be used for biochemical studies. It can also be used in the preparation of tissue culture media. And it is used as nutritional supplement and flavouring. Additionally, it can be used to produce 2-methyl-butyraldehyde.



This reaction needs N-bromoacetamide (NBA), aq. NaOH at temperature of 35 °C. The yield is 51.0 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And limited evidence of a carcinogenic effect. Please do not breathe dust. Moreover, you should wear suitable protective clothing to avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCC(C)C(C(=O)O)N
(2)InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(3)InChIKey: AGPKZVBTJJNPAG-UHFFFAOYSA-N