DL-Homophenylalanine methyl ester hydrochloride

Base Information

• Chemical Name: DL-Homophenylalanine methyl ester hydrochloride
• CAS No.: 85808-33-9
• Molecular Formula: C11H15NO2.ClH
• Molecular Weight: 229.707
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00516499
• Mol file: 85808-33-9.mol

Synonyms:85808-33-9;DL-Homophenylalanine methyl ester hydrochloride;H-DL-HoPhe-OMe.HCl;DL-Homophenylalanine methyl ester HCl;methyl 2-amino-4-phenylbutanoate;hydrochloride;METHYL 2-AMINO-4-PHENYLBUTANOATE HYDROCHLORIDE;methyl (2S)-2-amino-4-phenylbutanoate;H-DL-HomoPhe-OMe HCl;SCHEMBL4634585;DTXSID00516499;PZKOPSSMUBBHMM-UHFFFAOYSA-N;MFCD08458513;AKOS025289496;AS-67608;Methyl (d)-2-amino-4-phenylbutanoate HCl;CS-0084236;FT-0661582;FT-0699081;L-Homophenylalanine Methyl Ester Hydrochloride;Methyl-2-amino-4-phenylbutyrate hydrochloride;F52444;DL-homophenylalanine methyl ester hydrochloride, AldrichCPR;Methyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1);Methyl DL-2-amino-4-phenylbutanoate HCl (H-DL-hPhe-OMe.HCl)

Chemical Property of DL-Homophenylalanine methyl ester hydrochloride

Chemical Property:

• Melting Point: 153-154 °C
• PSA: 52.32000
• LogP: 2.62180
• Storage Temp.: Store at 0-5°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCC1=CC=CC=C1)N.Cl
• Uses: DL-Homophenylalanine methyl ester HCl

Technology Process of DL-Homophenylalanine methyl ester hydrochloride

There total 2 articles about DL-Homophenylalanine 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: 98.0%

methanol (67-56-1) + D,L-homophenylalanine (1012-05-1) → 2-amino-4-phenylbutyric acid methylester hydrochloride (85808-33-9)

Guidance literature:

With hydrogenchloride; for 18h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85140-1

Reference yield: 85.0%

2-((tert-butoxycarbonyl)amino)-4-phenylbutanoic acid (108524-68-1) → 2-amino-4-phenylbutyric acid methylester hydrochloride (85808-33-9)

Guidance literature:

With thionyl chloride; In methanol; di-isopropyl ether;

Reference yield: 82.0%

2-amino-4-phenylbutyric acid methylester hydrochloride (85808-33-9) + phenylboronic acid (98-80-6) → methyl 2,4-diphenylbutanoate (40164-60-1)

Guidance literature:

With potassium formate; sodium nitrite; In water; toluene; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1002/anie.201406765

upstream raw materials:

methanol

D,L-homophenylalanine

2-((tert-butoxycarbonyl)amino)-4-phenylbutanoic acid

Downstream raw materials:

D,L-homophenylalanine

2-Amino-N-hexyl-4-phenyl-butyramide; hydrochloride

(+/-)-methyl 4-[({[1-(methoxycarbonyl)-3-phenylpropyl]amino}sulfonyl)amino]benzene-1-carboxylate

(+/-)-methyl 2-{[(2-oxo-1,3-oxazolan-3-yl)sulfonyl]amino}-4-phenylbutanoate

Refernces

• 1、 -. "Sulfonamide derivative as a matrix metalloproteinase inhibitor". . . Retrieved 2008/06/13.
• 2、 Altman, Janina,Shoef, Nurit,Wilchek, Meir,Warshawsky, Abraham. "Bifunctional Chelating Agents. Part 1. 1-(p-Aminophenethyl)ethylenediaminetetra-acetic Acid". . p. 365 - 368. Retrieved 2007/10/02.