DL-Phenylalanine methyl ester hydrochloride

Base Information

• Chemical Name: DL-Phenylalanine methyl ester hydrochloride
• CAS No.: 5619-07-8
• Molecular Formula: C10H14ClNO2
• Molecular Weight: 215.68
• European Community (EC) Number: 945-660-9,227-049-2
• NSC Number: 194642
• Mol file: 5619-07-8.mol

Synonyms:DL-Phenylalanine methyl ester hydrochloride;5619-07-8;H-DL-Phe-OMe.HCl;methyl 2-amino-3-phenylpropanoate hydrochloride;DL-phenylalanine methyl ester, HCl;MFCD00066113;methyl 2-amino-3-phenylpropanoate;hydrochloride;Methyl 3-phenyl-DL-alaninate HCl;EINECS 227-049-2;Methyl 3-phenyl-DL-alaninate hydrochloride;methyl phenylalaninate hydrochloride;MFCD00066112;NSC-194642;Phenylalanine hydrochloride methyl ester;(S)-phenylalanine methyl ester hydrochloride;SCHEMBL136408;(2S)-2-AMINO-3-PHENYLPROPIONIC ACID METHYL ESTER HYDROCHLORIDE;DL-Phenylalanine methyl ester HCl;SWVMLNPDTIFDDY-UHFFFAOYSA-N;6-methyl-7-NITRO(1H)INDAZOLE;NSC194642;phenylalanine methylester chlorhydrate;AKOS008966864;AB01100;CS-W022742;HY-W042002;Methyl 2-amino-3-phenylpropanoate HCl;Methyl DL-phenylalaninate hydrochloride;SY004788;SY034266;SY106384;D,L-phenylalanine-methylester hydrochloride;d,l-phenylalanine methyl ester hydrochloride;D-?Phenylalanine methyl ester hydrochloride;LS-192473;AM20061219;FT-0625504;FT-0625604;FT-0627995;FT-0636779;FT-0673720;(DL)-phenylalanine methyl ester hydrochloride;EN300-04537;A918557;Methyl (S)-2-amino-3-phenylpropanoate hydrochloride;2-amino-3-phenyl-propionic acid methylester hydrochloride;F2147-0643;(S)-2-Amino-3-phenylpropionic acid methyl ester hydrochloride;METHYL (2R)-2-AMINO-3-PHENYLPROPANOATE HYDROCHLORIDE

Chemical Property of DL-Phenylalanine methyl ester hydrochloride

Chemical Property:

• Vapor Pressure: 0.00986mmHg at 25°C
• Melting Point: 158-162°C
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 126 °C
• PSA: 52.32000
• LogP: 2.23170
• Storage Temp.: -15°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Sparingly)
• Water Solubility.: Slightly soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

DL-Phenylalanine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)N.Cl
• Uses: DL-Phenylalanine methyl ester hydrochloride, is an aminoacid which is widely used in pharmaceuticals and foods.

Technology Process of DL-Phenylalanine methyl ester hydrochloride

There total 16 articles about DL-Phenylalanine methyl ester 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) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → methyl 2-amino-3-phenylpropanoate hydrochloride (5619-07-8)

Guidance literature:

With thionyl chloride; at 5 - 50 ℃; for 25h;

DOI:10.1002/anie.200801846

Reference yield: 99.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + 2,2-dimethoxy-propane (77-76-9) → methyl 2-amino-3-phenylpropanoate hydrochloride (5619-07-8)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 18h;

DOI:10.1002/asia.201901470

Reference yield: 93.61%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → methyl 2-amino-3-phenylpropanoate hydrochloride (5619-07-8)

Guidance literature:

With thionyl chloride; In methanol; at 20 ℃;

DOI:10.1016/j.bmc.2013.08.041

upstream raw materials:

methanol

Phenylalanine

DL-β-chloro-β-phenylalanine hydrochloride

β-chloro-β-phenylalanine methyl ester hydrochloride

Downstream raw materials:

N-(N-benzyloxycarbonyl-glycyl)-DL-phenylalanine methyl ester

(R,S)-2-amino-3-phenylpropionamide

N-stearoyl-phenylalanine methyl ester

2-(2-Formylamino-4-methyl-pentanoylamino)-3-phenyl-propionic acid methyl ester

Refernces

• 1、 Kervefors, Gabriella,Kersting, Leonard,Olofsson, Berit. "Transition Metal-Free N-Arylation of Amino Acid Esters with Diaryliodonium Salts". supporting information. p. 5790 - 5795. Retrieved 2021/03/08.
• 2、 Decuyper, Lena,Juki?, Marko,Sosi?, Izidor,Amoroso, Ana Maria,Verlaine, Olivier,Joris, Bernard,Gobec, Stanislav,D'hooghe, Matthias. "Synthesis and Penicillin-binding Protein Inhibitory Assessment of Dipeptidic 4-Phenyl-β-lactams from α-Amino Acid-derived Imines". supporting information. p. 51 - 55. Retrieved 2019/11/28.