2-amino-2-(4-ethylphenyl)acetic Acid

Base Information

• Chemical Name: 2-amino-2-(4-ethylphenyl)acetic Acid
• CAS No.: 318270-08-5
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 869-226-2
• DSSTox Substance ID: DTXSID40392375
• Mol file: 318270-08-5.mol

Synonyms:2-amino-2-(4-ethylphenyl)acetic Acid;318270-08-5;amino(4-ethylphenyl)acetic acid;AMINO-(4-ETHYL-PHENYL)-ACETIC ACID;SCHEMBL21433092;DTXSID40392375;BBL022172;MFCD02662425;STK132118;AKOS000175092;AKOS016045336;AB11989;AB32688;AB32689;BS-12367;BB 0249657;CS-0296616;EN300-88019;N12432;Amino(4-ethylphenyl)acetic acid (H-DL-Phg(4-EtOH)-OH);Z317024600

Chemical Property of 2-amino-2-(4-ethylphenyl)acetic Acid

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Boiling Point: 321.3°C at 760 mmHg
• PKA: 2.02±0.10(Predicted)
• Flash Point: 148.1°C
• PSA: 63.32000
• Density: 1.162g/cm³
• LogP: 2.03370
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-2-(4-ethylphenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(C(=O)O)N

Technology Process of 2-amino-2-(4-ethylphenyl)acetic Acid

There total 1 articles about 2-amino-2-(4-ethylphenyl)acetic 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: 73.1%

potassium cyanide + 4-ethylbenzylaldehyde (4748-78-1) → C-(4-ethylphenyl)-glycine (318270-08-5)

Guidance literature:

potassium cyanide; 4-ethylbenzylaldehyde; With ammonium chloride; In methanol; water; for 2h;

With hydrogenchloride; water; for 8h; Reflux;

DOI:10.3390/molecules15010128

Reference yield: 90.0%

C-(4-ethylphenyl)-glycine (318270-08-5) + phenyl isocyanate (103-71-9) → 3-phenyl-5-(4-ethylphenyl)-imidazolidine-2,4-dione (1222148-70-0)

Guidance literature:

C-(4-ethylphenyl)-glycine; phenyl isocyanate; With sodium hydroxide; for 4h;

With hydrogenchloride; In water; for 2h; Reflux;

DOI:10.3390/molecules20010974

Reference yield: 75.0%

C-(4-ethylphenyl)-glycine (318270-08-5) + p-toluidine (106-49-0,12221-03-3) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-(4-ethylphenyl)-6-methylquinazoline

Guidance literature:

With hydrogen iodide; In water; at 140 ℃; for 18h; Sealed tube;

DOI:10.1039/d1cc00623a

upstream raw materials:

4-ethylbenzylaldehyde

Downstream raw materials:

3-phenyl-5-(4-ethylphenyl)-imidazolidine-2,4-dione

3-phenyl-5-(4-ethylphenyl)-2-thioxo-imidazolidin-4-one