CID 11076013

Base Information

• Chemical Name: CID 11076013
• CAS No.: 7524-52-9
• Molecular Formula: C₁₂H₁₄N₂O₂*ClH
• Molecular Weight: 254.716
• Hs Code.: 29339900
• Mol file: 7524-52-9.mol

Synonyms:

Chemical Property of CID 11076013

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 2.62E-06mmHg at 25°C
• Melting Point: 218-220 °C(lit.)
• Refractive Index: 19.5 ° (C=5, MeOH)
• Boiling Point: 390.6oC at 760 mmHg
• Flash Point: 190oC
• PSA: 68.11000
• LogP: 2.71300
• Storage Temp.: -15°C
• Solubility.: DMSO (Slightly), Methanol (Sparingly)
• Hydrogen Bond Donor Count: 2
• 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

L-Tryptophan methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C(CC1=CNC2=CC=CC=C21)[NH3+].[Cl-]
• Isomeric SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)[NH3+].[Cl-]
• Uses: L-Tryptophan methyl ester hydrochloride can be used as a reactant to prepare: Oxamoyl derivatives of N-(2-aminobenzoyl)-L-tryptophan (dipeptides) by acylation reaction with 3,1-benzoxazinones.Tadalafil (Cialis), a type-V phosphodiesterase (PDE5) inhibitor. Isoroquefortine C. Methyl L-tryptophanate hydrochloride may be used to prepare the corresponding amino acid amide L-Tryptophanamide Hydrochloride (Cat. #T89550)

Technology Process of CID 11076013

There total 19 articles about CID 11076013 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:

Z-D-Ala-L-Trp-OMe

(S)-3-(3H-Indol-3-yl)-2-((Z)-3-oxo-but-1-enylamino)-propionic acid methyl ester

(1S,3S)-1-(3-Bromo-phenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester

methyl (3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylate

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.