2-Amino-3-(m-tolyl)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(m-tolyl)propanoic acid
• CAS No.: 5472-70-8
• Molecular Formula: C20H18N2O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• NSC Number: 29447,14793
• Nikkaji Number: J1.101.610C
• Mol file: 5472-70-8.mol

Synonyms:5472-70-8;2-Amino-3-(m-tolyl)propanoic acid;2-amino-3-m-tolyl-propionic acid;2-amino-3-(3-methylphenyl)propanoic acid;3-Methy-DL-Phenylalanine;3-METHYL-DL-PHENYLALANINE;DL-3-ME-PHE-OH;DL-3-METHYLPHENYLALANINE;NSC14793;BENZYLLEVULINATE;D0X8ZS;SCHEMBL42906;2283-42-3;ss-m-Tolyl-a-amino-propionsaure;2-Amino-3-(m-tolyl)propanoicacid;NSC29447;MFCD05227937;NSC-14793;NSC-29447;AKOS000174493;AKOS016843161;AB02005;AB21660;AM83420;2-AMINO-3-M-TOLYLPROPANOIC ACID;alpha-Amino-3-methylbenzenepropionic acid;AS-60876;CS-0153221;FT-0600326;FT-0658184;FT-0694659;A50210;EN300-160147;A870364;F2147-6573;2-Amino-3-(m-tolyl)propanoic acid (H-DL-Phe(3-Me)-OH)

Chemical Property of 2-Amino-3-(m-tolyl)propanoic acid

Chemical Property:

• Vapor Pressure: 6.99E-13mmHg at 25°C
• Melting Point: 245oC
• Refractive Index: 1.712
• Boiling Point: 567.2 °C at 760 mmHg
• PKA: 2.22±0.10(Predicted)
• Flash Point: 296.8°C
• PSA: 63.32000
• Density: 1.343 g/cm³
• LogP: 1.64970
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-3-(m-tolyl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-(m-tolyl)propanoic acid

There total 13 articles about 2-Amino-3-(m-tolyl)propanoic acid 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: 72.0%

2-(Benzhydrylidene-amino)-3-m-tolyl-propionic acid methyl ester (145243-34-1) → 3-methyl-phenylalanine (5472-70-8,2283-42-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo00056a033

Reference yield:

acetylamino-(3-methyl-benzyl)-malonic acid diethyl ester (5440-54-0) → 3-methyl-phenylalanine (5472-70-8,2283-42-3)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01145a022 DOI:10.1021/ja01572a065

Reference yield:

(S)-2-amino-3-(3-methylphenyl)propionic acid (2283-42-3) → 3-methyl-phenylalanine (5472-70-8,2283-42-3)

Guidance literature:

With alanine racemase (accession number AE₀₁₅₄₅₁ range 4,245,041-4,246,270), cloned from the genome of Pseudomonas putida (KT₂₄₄₀); In water; glycerol; at 31 ℃; for 1h; pH=8; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/jo9009563

upstream raw materials:

diethyl ether

2-azidocarbonyl-3-m-tolyl-propionic acid

acetylamino-(3-methyl-benzyl)-malonic acid diethyl ester

2-(Benzhydrylidene-amino)-3-m-tolyl-propionic acid methyl ester

Downstream raw materials:

(R)-3-amino-3-(3-methyl-phenyl)-propionic acid

(R)-2-amino-3-(3-methylphenyl)propionic acid

(S)-2-amino-3-(3-methylphenyl)propionic acid

Refernces

• 1、 -. "Immunomodulatory peptides". . . Retrieved 2014/12/12.
• 2、 Kim, Hyun Ju,Lee, Sang-Kuk,Park, Yong Sun. "Alkylation of N′-[(S)-1′-phenylethyl]-N-(diphenylmethylene)glycinamide using a phase transfer catalyst (PTC) for practical asymmetric syntheses of α-amino acid derivatives". . p. 613 - 616. Retrieved 2007/10/03.