2-methyl-N-phenylAlanine

Base Information

• Chemical Name: 2-methyl-N-phenylAlanine
• CAS No.: 59081-61-7
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• European Community (EC) Number: 804-974-5
• DSSTox Substance ID: DTXSID60506619
• Nikkaji Number: J2.269.965B
• Mol file: 59081-61-7.mol

Synonyms:2-methyl-N-phenylAlanine;59081-61-7;2-methyl-2-(phenylamino)propanoic acid;2-anilino-2-methylpropanoic acid;2-Methyl-N-phenyl-Alanine;dimethylphenylglycine;SCHEMBL1646972;DTXSID60506619;MFCD05228616;2-methyl-2-(phenylamino)propanoicacid;2-Methyl-2-phenylamino-propionic acid;AKOS000102742;BB 0241745;CS-0248278;FT-0732192;A18952;EN300-395602;Z274535156

Chemical Property of 2-methyl-N-phenylAlanine

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Melting Point: 181 - 184oC
• Boiling Point: 355.5oC at 760 mmHg
• Flash Point: 168.8oC
• PSA: 49.33000
• Density: 1.17g/cm3
• LogP: 2.03470
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

2-methyl-N-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)NC1=CC=CC=C1

Technology Process of 2-methyl-N-phenylAlanine

There total 16 articles about 2-methyl-N-phenylAlanine 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: 85.0%

iodobenzene (591-50-4) + 2-Aminoisobutyric acid (62-57-7) → 2-methyl-2-(phenylamino)propanoic acid (59081-61-7)

Guidance literature:

With copper(l) iodide; 2-(2-methyl-1-oxopropane)cyclohexanone; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c5ob00288e

Reference yield: 85.0%

bromobenzene (108-86-1,52753-63-6) + 2-Aminoisobutyric acid (62-57-7) → 2-methyl-2-(phenylamino)propanoic acid (59081-61-7)

Guidance literature:

With copper(l) iodide; 2-(2-methyl-1-oxopropane)cyclohexanone; potassium carbonate; In water; at 90 ℃; for 0.833333h; Microwave irradiation; Green chemistry;

DOI:10.1039/c6ra23364c

Reference yield: 82.0%

3'-phenyl-4',4'-dimethylxanthene-9-spiro-2'-oxazolidin-5'-one (75997-06-7) → 9H-xanthen-9-one oxime (5934-37-2) + 2-methyl-2-(phenylamino)propanoic acid (59081-61-7)

Guidance literature:

With hydroxylamine; In methanol; at 60 ℃; for 18h; Product distribution; xanthone production by hydrolysis (CH₃COOH, H₂SO₄, H₂O, reflux, 14 h);

upstream raw materials:

2-methyl-N-phenyl-2-(phenylamino)propanamide

2-methyl-2-(N-phenylamino)propanenitrile

aniline

1,1,1-trichloro-2-methyl-2-propanol

Downstream raw materials:

aniline

α-(N-acetyl-anilino)-isobutyric acid

3,3,6,6-tetramethyl-4-phenyl-morpholine-2,5-dione

methylammonium carbonate

Refernces

• 1、 Sharma, Krishna K.,Sharma, Swagat,Kudwal, Anurag,Jain, Rahul. "Room temperature N-arylation of amino acids and peptides using copper(i) and β-diketone". supporting information. p. 4637 - 4641. Retrieved 2015/04/27.
• 2、 Sasaki, Tadashi,Mori, Kohki,Ohno, Masatomi. "Synthesis of β-N-Phenylamino Alcohols and α-N-Phenylamino Acids via Reduvtion of the Adducts of Silyl Enol Ethers and Bis-silyl Ketene Acetals with Nitrosobenzene". . p. 280 - 282. Retrieved 2007/10/02.