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

Base Information

• Chemical Name: 2-amino-2-(4-methylphenyl)acetic Acid
• CAS No.: 13227-01-5
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 676-265-7
• ChEMBL ID: CHEMBL434994
• DSSTox Substance ID: DTXSID70408892
• Nikkaji Number: J1.289.638G
• Mol file: 13227-01-5.mol

Synonyms:13227-01-5;2-amino-2-(4-methylphenyl)acetic Acid;2-Amino-2-(p-tolyl)acetic acid;DL-4-Methylphenylglycine;Amino-p-tolyl-acetic acid;MFCD00665357;2-AMINO-2-P-TOLYLACETIC ACID;BENZENEACETIC ACID, ALPHA-AMINO-4-METHYL-;4-Methylphenyl glycine;amino(4-methylphenyl)acetic acid;DL-2-(p-Tolyl)glycine;CHEMBL434994;SCHEMBL5300400;2-Amino-2-(p-tolyl)aceticacid;DTXSID70408892;RZRRCPHBUKHOEY-UHFFFAOYSA-N;AKOS000188380;AKOS016045332;6L-332S;AB06684;AB32672;AB89438;CS-W006187;HY-W006187;(S)-a-Amino-4-methylbenzeneacetic acid;AC-24598;SY028543;BB 0249655;FT-0630146;EN300-70125;J-507751;F2147-0646;Z317024662

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

Chemical Property:

• Vapor Pressure: 0.000329mmHg at 25°C
• Melting Point: 256-257°C
• Refractive Index: 1.579
• Boiling Point: 306.8 °C at 760 mmHg
• PKA: 2.03±0.10(Predicted)
• Flash Point: 139.3 °C
• PSA: 63.32000
• Density: 1.2 g/cm³
• LogP: 1.77970
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 20 articles about 2-amino-2-(4-methylphenyl)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: 82.0%

benzylamino-p-tolyl-acetic acid (271583-31-4) → 2-amino-2-(4-methylphenyl)acetic acid (13227-01-5)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; palladium on activated charcoal; In water; for 10h; Heating;

DOI:10.1080/00397910008087127

Reference yield: 74.64%

potassium cyanide + 4-methyl-benzaldehyde (104-87-0) → 2-amino-2-(4-methylphenyl)acetic acid (13227-01-5)

Guidance literature:

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

With hydrogenchloride; water; for 8h; Reflux;

DOI:10.3390/molecules15010128

Reference yield: 67.0%

C21H17ClN2 → 2-amino-2-(4-methylphenyl)acetic acid (13227-01-5)

Guidance literature:

With hydrogenchloride; trifluoroacetic acid; at 80 ℃; for 18h; Sealed tube;

DOI:10.1016/j.molcata.2016.06.026

upstream raw materials:

(4-methylphenyl)acetonitrile

α-Isocyano-p-tolylessigsaeureethylester

(R)-α-(p-tolyl)glycine

5-(4-methylphenyl)imidazolidine-2,4-dione

Downstream raw materials:

n-chlorooctane

Amino-p-tolyl-acetic acid octyl ester; hydrochloride

2-amino-3-(4-methylphenyl)propanol

2-fluoro-2-p-methylphenylethanoic acid

Refernces

• 1、 Compere Jr.,Weinstein. "-". . p. 852. Retrieved 1977.
• 2、 Ruiz, Sara,Sayago, Francisco J.,Cativiela, Carlos,Urriolabeitia, Esteban P.. "Ru-catalyzed C[sbnd]H functionalization of phenylglycine derivatives: Synthesis of isoquinoline-1-carboxylates and isoindoline-1-carboxylates". . p. 407 - 418. Retrieved 2016/12/16.
• 3、 De Sousa Luis, Jose Alixandre,Barbosa Filho, Jose Maria,Lira, Bruno Freitas,Medeiros, Isac Almeida,De Morais, Liana Clebia Soares Lima,Dos Santos, Alexsandro Fernandes,De Oliveira, Cledualdo Soares,De Athayde-Filho, Petronio Filgueiras. "Synthesis of new imidazolidin-2,4-dione and 2-thioxoimidazolidin-4-ones via C-phenylglycine derivatives". experimental part. p. 128 - 137. Retrieved 2010/05/18.