methyl L-tryptophanate supplier

Name
methyl L-tryptophanate
EINECS 224-309-7
CAS No. 4299-70-1
Article Data166
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 91-92℃
Formula C₁₂H₁₄N₂O₂
Boiling Point 390.6 °C at 760 mmHg
Molecular Weight 218.255
Flash Point 190 °C
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Hazard Symbols
Synonyms S-Tryptophan methyl ester;Methyl L-tryptophanate;L-Tryptophan, methyl ester (9CI);Tryptophan, methyl ester, L- (7CI,8CI);methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;[(1R)-2-(1H-indol-3-yl)-1-methoxycarbonyl-ethyl]azanium;L-Tryptophane methyl ester;2-amino-3-(1H-indol-3-yl)propanoic acid methyl ester;Tryptophan methyl ester (6CI);
PSA 68.11000
LogP 1.91100

methyl L-tryptophanate Specification

The methyl L-tryptophanate, with the CAS registry number 4299-70-1, is also known as Methyl L-tryptophanate. Its EINECS number is 224-309-7. This chemical's molecular formula is C₁₂H₁₄N₂O₂ and molecular weight is 218.25. What's more, its IUPAC name is methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate.

Physical properties of methyl L-tryptophanate are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 30.71; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 62.61 cm³; (15)Molar Volume: 175.2 cm³; (16)Polarizability: 24.82×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 190 °C; (20)Enthalpy of Vaporization: 64.01 kJ/mol; (21)Boiling Point: 390.6 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol, L-tryptophane at the ambient temperature. This reaction will need reagent thionylchloride with the reaction time of 24 hours. The yield is about 97%.

Uses of methyl L-tryptophanate: it can be used to produce 3-methoxymethyl-indole at the temperature of 0 °C. It will need reagents KOH, C₆H₅I(OAc)₂ with the reaction time of 1.5 hours. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(CC1=CNC2=CC=CC=C21)N
(2)Isomeric SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
(3)InChI: InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1
(4)InChIKey: KCUNTYMNJVXYKZ-JTQLQIEISA-N

Product Name

methyl L-tryptophanate

methyl L-tryptophanate Specification

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