CID 11184387

Base Information

• Chemical Name: CID 11184387
• CAS No.: 14907-27-8
• Molecular Formula: C₁₂H₁₄N₂O₂*ClH
• Molecular Weight: 254.716
• Hs Code.: 29339900
• Mol file: 14907-27-8.mol

Synonyms:SCHEMBL15455727

Chemical Property of CID 11184387

Chemical Property:

• Appearance/Colour: off-white crystalline solid
• Vapor Pressure: 2.62E-06mmHg at 25°C
• Melting Point: 213-216 °C
• Refractive Index: -19 ° (C=5, MeOH)
• Boiling Point: 390.6 °C at 760 mmHg
• Flash Point: 190 °C
• PSA: 68.11000
• Density: 1.337g/cm3 at 20℃
• LogP: 2.71300
• Storage Temp.: 2-8°C
• Solubility.: DMSO, (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: Soluble in water (150 mg/ml), dimethyl sulfoxide and methanol (50 mg/ml).
• 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:

98%+ ^*data from raw suppliers

D-Tryptophan methyl ester hydrochloride 99+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

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: Intermediate for the synthesis of Tryptophan derivatives. D-Tryptophan Methyl Ester Hydrochloride is an intermediate in the synthesis of Tryptophan derivatives.

Technology Process of CID 11184387

There total 19 articles about CID 11184387 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:

N^α-(tert-butoxycarbonyl)-L-phenylalanyl-L-tryptophan methyl ester

(R)-α-methylbenzylcarbamoyl-DL-tryptophan methyl ester

3-(1H-Indol-3-yl)-2-((Z)-3-oxo-propenylamino)-propionic acid methyl ester

3-(1H-Indol-3-yl)-2-((E)-3-oxo-propenylamino)-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.