5-METHYL-DL-TRYPTOPHAN

The Tryptophan, 5-methyl-, with the CAS registry number 951-55-3, is also known as 5-Methyltryptophan. It belongs to the product categories of Indoles and Derivatives; Amino Acids; Biochemistry; Biological-Modified Amino Acids; Indoles; Tryptophans; Amino Acids Methyl; Ethyl; t-Butyl Series; Peptide Synthesis; I - ZPeptide Synthesis; Tryptophan Derivatives; Amino Acids; Modified Amino Acids; Unnatural Amino Acid Derivatives. Its EINECS registry number is 213-453-6. This chemical's molecular formula is C₁₂H₁₄N₂O₂ and molecular weight is 218.25. What's more, its IUPAC name is called 2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid. It is off-white powder and it should be kept in a cold, airtight and dry place.

Physical properties about Tryptophan, 5-methyl- are: (1) ACD/LogP: 1.50; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1; (4) ACD/LogD (pH 7.4): -1; (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: 4; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 34.47 Ų; (13) Index of Refraction: 1.677; (14) Molar Refractivity: 62.59 cm³; (15) Molar Volume: 166.1 cm³; (16) Surface Tension: 65.6 dyne/cm; (17) Density: 1.313 g/cm³; (18) Flash Point: 229.1 °C; (19) Enthalpy of Vaporization: 75.33 kJ/mol; (20) Boiling Point: 455.1 °C at 760 mmHg; (21) Vapour Pressure: 4.48E-09 mmHg at 25 °C; (22) Melting Point: 275 °C.

Preparation of Tryptophan, 5-methyl-: this chemical can be prepared by 5-Methyl-L-tryptophan ethyl ester. This reaction needs reagent NaOH and solvents Ethanol, H₂O at temperature of 50 °C. The yield is 87 %.

Uses of Tryptophan, 5-methyl-: it is used to produce other chemicals. For example, it is used to produce (3S)-1,2,3,4-Tetrahydro-6-methyl-β-carboline-3-carboxylic acid. The reaction occurs with reagent H₂SO₄ and solvents H₂O, Ethanol at ambient temperature for 18 hours. The yield is 86 %.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. You should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)Cc2c1cc(ccc1nc2)C
(2) InChI: InChI=1/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
(3) InChIKey: HUNCSWANZMJLPM-UHFFFAOYAS