CID 11333688

Base Information

• Chemical Name: CID 11333688
• CAS No.: 3182-93-2
• Molecular Formula: C11H15NO2^.HCl
• Molecular Weight: 229.707
• Hs Code.: 29224995
• Mol file: 3182-93-2.mol

Synonyms:

Chemical Property of CID 11333688

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.00359mmHg at 25°C
• Melting Point: 155-156 °C(lit.)
• Boiling Point: 281.3 °C at 760 mmHg
• Flash Point: 140.3 °C
• PSA: 52.32000
• LogP: 2.62180
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Solubility.: Methanol, Water
• Water Solubility.: Soluble in methanol and water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

L-Phenylalanine ethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC=CC=C1)[NH3+].[Cl-]
• Isomeric SMILES: CCOC(=O)[C@H](CC1=CC=CC=C1)[NH3+].[Cl-]
• Uses: L-Phenylalanine Ethyl Ester Hydrochloride is an derivative of L-Phenylalanine (P319415), an essential amino acid.

Technology Process of CID 11333688

There total 14 articles about CID 11333688 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%

ethyl ((S)-tert-butylsulfinyl)phenylalaninate (1416989-77-9) → (L)-phenylalanine ethyl ester hydrochloride (3182-93-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1h;

DOI:10.1055/s-0032-1317298 DOI:10.1055/s-0032-1317298

Reference yield: 99.0%

ethanol (64-17-5) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → (L)-phenylalanine ethyl ester hydrochloride (3182-93-2)

Guidance literature:

With chloro-trimethyl-silane; at 80 ℃;

Reference yield: 96.0%

ethanol (64-17-5) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → ethyl 2-amino-3-phenylpropanoate hydrochloride (3182-93-2)

Guidance literature:

With thionyl chloride; at 0 - 80 ℃;

DOI:10.1039/c8md00139a

upstream raw materials:

benzyl bromide

benzyl chloride

ethanol

Phenylalanine

Downstream raw materials:

N-(3-Carboxy-propionyl)-D,L-phenylalanin-ethylester

2-isothiocyanato-3-phenyl-propionic acid ethyl ester

Bernsteinsaeure-glycin-ethylester-DL-phenylalanin-ethylester

2-[2-Chloro-3-(2-chloro-ethylsulfanyl)-2-methyl-propionylamino]-3-phenyl-propionic acid ethyl ester

Refernces

• 1、 -. "A (1 R, 3 S) -3 - amino-cyclopentanol hydrochloride preparation method (by machine translation)". Paragraph 0029. . Retrieved 2019/05/08.
• 2、 Moshikur, Rahman Md.,Chowdhury, Md. Raihan,Wakabayashi, Rie,Tahara, Yoshiro,Moniruzzaman, Muhammad,Goto, Masahiro. "Characterization and cytotoxicity evaluation of biocompatible amino acid esters used to convert salicylic acid into ionic liquids". . p. 31 - 38. Retrieved 2018/05/28.