Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride

Base Information

• Chemical Name: Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride
• CAS No.: 5619-09-0
• Molecular Formula: C₁₂H₁₄N₂O₂*ClH
• Molecular Weight: 254.716
• Hs Code.: 2933990090
• European Community (EC) Number: 868-041-4
• NSC Number: 34498
• DSSTox Substance ID: DTXSID80385140
• Mol file: 5619-09-0.mol

Synonyms:5619-09-0;DL-TRYPTOPHAN METHYL ESTER HYDROCHLORIDE;H-DL-Trp-OMe.HCl;Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride;DL-Tryptophan methyl ester HCl;d,l-tryptophan methyl ester hydrochloride;H-DL-Trp-OMe HCl;H-DL-Trp-OMe-HCl;MFCD00066133;methyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride;MFCD00038992;MFCD00066134;TRYPTOPHAN METHYL ESTER hydrochloride;H-DL-Trp-OMe . HCl;SCHEMBL378071;DTXSID80385140;NSC34498;D-Tryptophanmethyl esterhydrochloride;Methyl DL-tryptophanate hydrochloride;NSC 34498;NSC-34498;AKOS008966913;DL-tryptophan methylester hydrochloride;AB-0201;CS-W022743;SB44196;AC-15803;SY009483;SY018890;SY021468;AM20061220;FT-0625626;FT-0628032;FT-0628431;EN300-04827;A830954;Z56921839;Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride;DL-Tryptophan Methyl Ester Hydrochloride

Chemical Property of Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 2.62E-06mmHg at 25°C
• Melting Point: 221-222 °C
• Boiling Point: 390.6 °C at 760 mmHg
• Flash Point: 190 °C
• PSA: 68.11000
• Density: 1.245g/cm3
• LogP: 2.71300
• Storage Temp.: 2-8°C
• Solubility.: Methanol, Water
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.0822054
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

D,L-Tryptophan Methyl Ester, Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CNC2=CC=CC=C21)N.Cl
• Uses: Amino acid derivative， D,L-Tryptophan Methyl Ester Hydrochloride may be used to prepare the corresponding amino acid amide L-Tryptophanamide Hydrochloride (Cat. #T89550) Amino acid derivative that may be used to prepare the corresponding amino acid amide L-Tryptophanamide Hydrochloride (Cat. #T89550).

Technology Process of Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride

There total 19 articles about Methyl 2-amino-3-(1H-indol-3-yl)propanoate Hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methanol (67-56-1) + L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → (S)-tryptophan methyl ester hydrochloride (7524-52-9,26988-71-6,5619-09-0,14907-27-8,41222-70-2,67557-19-1,109492-62-8)

Guidance literature:

With thionyl chloride; for 4h; Heating;

DOI:10.1016/S0040-4020(01)01044-4

Reference yield: 100.0%

methanol (67-56-1) + D-tryptophan (153-94-6,27732-43-0,80206-30-0,27813-82-7) → (R)-(+)-tryptophan methyl ester hydrochloride (14907-27-8,5619-09-0,7524-52-9,26988-71-6,41222-70-2,67557-19-1,109492-62-8)

Guidance literature:

With thionyl chloride; for 4h; Heating;

DOI:10.1016/S0040-4020(01)01044-4

Reference yield: 100.0%

methanol (67-56-1) + Trp (54-12-6,27732-43-0,80206-30-0,27813-82-7) → methyl tryptophanate hydrochloride (5619-09-0,7524-52-9,14907-27-8,26988-71-6,41222-70-2,67557-19-1,109492-62-8)

Guidance literature:

With hydrogenchloride; 3 A molecular sieve; for 2.5h; Heating;

DOI:10.1080/00397919208019286

upstream raw materials:

Methyl N-(diphenylmethylene)-D,L-tryptophanates

methanol

Trp

indole

Downstream raw materials:

(S)-methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-3-(1H-indol-3-yl)propanoate

(S)-3-Acetyl-1-(4-chloro-phenyl)-5-(1H-indol-3-ylmethyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one

Z-L-Arg(H*HCl)-L-Trp-OMe

(S)-3-(1H-Indol-3-yl)-2-(2-methylamino-benzoylamino)-propionic acid methyl ester

Refernces

• 1、 Gao, Yu-Ting,Liu, Shao-Dong,Cheng, Liang,Liu, Li. "A fast and direct iodide-catalyzed oxidative 2-selenylation of tryptophan". supporting information. p. 3504 - 3507. Retrieved 2021/04/12.
• 2、 Jannu, Arun Kumar,Puppala, Eswara Rao,Gawali, Basveshwar,Syamprasad,Alexander, Amit,Marepally, Srujan,Chella, Naveen,Gangasani, Jagadeesh Kumar,Naidu. "Lithocholic acid-tryptophan conjugate (UniPR126) based mixed micelle as a nano carrier for specific delivery of niclosamide to prostate cancer via EphA2 receptor". . . Retrieved 2021/07/13.