2-Amino-2-(2-bromophenyl)acetic acid

Base Information

• Chemical Name: 2-Amino-2-(2-bromophenyl)acetic acid
• CAS No.: 254762-66-8
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2922499990
• European Community (EC) Number: 851-980-9
• DSSTox Substance ID: DTXSID50404276
• Nikkaji Number: J2.185.615K
• Mol file: 254762-66-8.mol

Synonyms:2-Amino-2-(2-bromophenyl)acetic acid;254762-66-8;amino(2-bromophenyl)acetic acid;MFCD02662413;AMINO-(2-BROMO-PHENYL)-ACETIC ACID;SCHEMBL1439143;DTXSID50404276;PTWAPNNQAOAJDI-UHFFFAOYSA-N;CL9429;2-Amino-2-(2-bromophenyl)aceticacid;AKOS000190282;AKOS016050462;AB11975;AB32767;AB32771;AC-23615;BS-12119;SY014220;BB 0249640;FT-0644133;EN300-53914;A817872;F2147-0604;Z317024716

Chemical Property of 2-Amino-2-(2-bromophenyl)acetic acid

Chemical Property:

• Vapor Pressure: 1.57E-05mmHg at 25°C
• Melting Point: 157 °C
• Refractive Index: 1.624
• Boiling Point: 351 °C at 760 mmHg
• PKA: 1.69±0.10(Predicted)
• Flash Point: 166.1 °C
• PSA: 63.32000
• Density: 1.673 g/cm³
• LogP: 2.23380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-2-(2-bromophenyl)acetic acid

There total 12 articles about 2-Amino-2-(2-bromophenyl)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: 86.0%

methyl 2-amino-2-(2-bromophenyl)acetate → 2-amino-2-(2-bromophenyl)acetic acid (254762-66-8,339274-34-9)

Guidance literature:

With potassium hydroxide; In water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01302

Reference yield: 61.0%

2-(2-bromophenyl)-2-oxoacetic acid (26767-16-8) → 2-amino-2-(2-bromophenyl)acetic acid (254762-66-8,339274-34-9)

Guidance literature:

With (S)-2-amino-(2-chlorophenyl)ethanoic acid; In water; acetonitrile; at 50 ℃; for 36h; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.0c01302

Reference yield:

phenylglycin (2835-06-5) → 2,5-dibromo-DL-phenylglycine + 2-amino-2-(4-bromophenyl)acetic acid (119397-06-7,71079-03-3) + 2-amino-2-(2-bromophenyl)acetic acid (254762-66-8,339274-34-9) + α-amino-3-bromophenylacetic acid (79422-73-4,150174-93-9)

Guidance literature:

With bromoisocyanuric acid monosodium salt; sulfuric acid; at 0 ℃; for 2h; Further byproducts given;

DOI:10.1248/cpb.54.1715

upstream raw materials:

(2-bromophenyl)malonic acid

phenylglycin

ethyl 2-(2-bromophenyl)ethanoate

diethyl (2-bromophenyl)malonate

Downstream raw materials:

2-(2-bromophenyl)-2-(4-chlorophenylaminocarbonylamino)-acetic acid

methyl (2-bromophenyl)glycinate hydrochloride