2-Methyl-DL-tyrosine

Base Information

• Chemical Name: 2-Methyl-DL-tyrosine
• CAS No.: 96646-27-4
• Molecular Formula: C10H13 N O3
• Molecular Weight: 195.22
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID90408379
• Mol file: 96646-27-4.mol

Synonyms:2-Methyl-DL-tyrosine;96646-27-4;2-amino-3-(4-hydroxy-2-methylphenyl)propanoic acid;SCHEMBL2177581;DTXSID90408379;AXEOMQHKTSGLGS-UHFFFAOYSA-N;AKOS015961183;AB15695;AC-13253;FT-0691814;N14842;Benzenepropanoic acid, .alpha.-amino-4-hydroxy-2-methyl-

Chemical Property of 2-Methyl-DL-tyrosine

Chemical Property:

• Vapor Pressure: 4.38E-07mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 399.1°Cat760mmHg
• Flash Point: 195.1°C
• PSA: 83.55000
• Density: 1.283g/cm³
• LogP: 1.35530
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

2-METHYL-DL-TYROSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)CC(C(=O)O)N

Technology Process of 2-Methyl-DL-tyrosine

There total 7 articles about 2-Methyl-DL-tyrosine 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:

N-Bromosuccinimide (128-08-5) + diethyl acetimidomalonate + 3,4-dimethylanisole (4685-47-6) → DL-2-methyl-p-tyrosine (96646-27-4,128573-13-7,2370-56-1)

Guidance literature:

With NaH; In tetrachloromethane; dimethylformanide; aqueous HBr; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

3,4-dimethylanisole (4685-47-6) → DL-2-methyl-p-tyrosine (96646-27-4,128573-13-7,2370-56-1)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS / CCl₄ / 1 h / Irradiation

2: NaH / dimethylformamide / 1 h

3: 1) 48percent HBr, 2) propylene oxide / 1) reflux, 6h, 2) i-PrOH, room temperature

With N-Bromosuccinimide; hydrogen bromide; sodium hydride; methyloxirane; In tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)92112-9

Reference yield:

1-(bromomethyl)-4-methoxy-2-methylbenzene (52289-56-2) → DL-2-methyl-p-tyrosine (96646-27-4,128573-13-7,2370-56-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylformamide / 1 h

2: 1) 48percent HBr, 2) propylene oxide / 1) reflux, 6h, 2) i-PrOH, room temperature

With hydrogen bromide; sodium hydride; methyloxirane; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)92112-9

upstream raw materials:

2-Acetylamino-2-(4-methoxy-2-methyl-benzyl)-malonic acid diethyl ester

hydrogen iodide

acetic anhydride

3,4-dimethylanisole

Downstream raw materials:

3-(2-Bromomethyl-4-tert-butoxycarbonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester

2-tert-Butoxycarbonylamino-3-(4-tert-butoxycarbonyloxy-2-fluoromethyl-phenyl)-propionic acid methyl ester

2-tert-Butoxycarbonylamino-3-(4-tert-butoxycarbonyloxy-2-methyl-phenyl)-propionic acid methyl ester

DL-2-fluoromethyl-tyrosine

Refernces

• 1、 -. "Pharmaceutically active fluoromethyltyrosine compounds". . . Retrieved 2008/06/13.