Amino(3-methylphenyl)acetic acid

Base Information

• Chemical Name: Amino(3-methylphenyl)acetic acid
• CAS No.: 187979-43-7
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 865-387-8
• DSSTox Substance ID: DTXSID40405636
• Nikkaji Number: J1.289.637I
• Mol file: 187979-43-7.mol

Synonyms:2-amino-2-(3-methylphenyl)acetic Acid;amino(3-methylphenyl)acetic acid;53519-82-7;187979-43-7;AMino-(3-Methylphenyl)-acetic acid;2-amino-2-(m-tolyl)acetic acid;Amino-m-tolyl-acetic acid;SCHEMBL5293096;2-amino-2-(m-tolyl)aceticacid;DTXSID40405636;LUSUJXIQPCPYCT-UHFFFAOYSA-N;MFCD02662422;AKOS000178062;AKOS016051355;Dibenzo[c,f][2,7]naphthyridin-6-ol;AB32657;AB32661;BS-12240;BB 0249654;2-AMINO-2-(3-METHYLPHENYL)ACETICACID;EN300-75169;F78745;J-012105;BENZENEACETIC ACID, A-AMINO-3-METHYL-, (AR)-;Amino(3-methylphenyl)acetic acid (H-DL-Phg(3-Me)-OH);F2167-0080;Z317024596

Chemical Property of Amino(3-methylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000413mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 303.3 °C at 760 mmHg
• Flash Point: 137.2 °C
• PSA: 63.32000
• Density: 1.2 g/cm³
• LogP: 1.77970
• 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: 170

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-2-(3-methylphenyl)acetic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Amino(3-methylphenyl)acetic acid

There total 6 articles about Amino(3-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: 65.0%

(R)-m-Tolyl-ureido-acetic acid (187978-95-6) → D-(3-methylphenyl)glycine (187979-43-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; for 48h; Ambient temperature;

DOI:10.1016/S0957-4166(96)00488-0

Reference yield:

3-methylmandelic acid (65148-70-1) → D-(3-methylphenyl)glycine (187979-43-7)

Guidance literature:

With D-glucose; ammonia; ammonium chloride; In aq. phosphate buffer; at 30 ℃; for 24h; pH=8; enantioselective reaction; Microbiological reaction; Green chemistry; Enzymatic reaction;

DOI:10.1002/adsc.201700956

Reference yield:

3-methylstyrene (100-80-1) → D-(3-methylphenyl)glycine (187979-43-7)

Guidance literature:

With D-glucose; oleic acid ethyl ester; ammonia; oxygen; ammonium chloride; In aq. phosphate buffer; at 30 ℃; for 24h; pH=8; enantioselective reaction; Microbiological reaction; Green chemistry; Enzymatic reaction;

DOI:10.1002/adsc.201700956

upstream raw materials:

chloroform

m-tolyl aldehyde

(R)-m-Tolyl-ureido-acetic acid

5-m-Tolyl-imidazolidine-2,4-dione

Refernces

• 1、 Garcia, Maria J.,Azerad, Robert. "Production of ring-substituted D-phenylglycines by microbial or enzymatic hydrolysis/deracemisation of the corresponding DL-hydantoins". . p. 85 - 92. Retrieved 2007/10/03.