2-Azaniumyl-2,2-diphenylacetate

Base Information

• Chemical Name: 2-Azaniumyl-2,2-diphenylacetate
• CAS No.: 3060-50-2
• Molecular Formula: C14H13NO2
• Molecular Weight: 227.263
• Hs Code.: 29224999
• Mol file: 3060-50-2.mol

Synonyms:

Chemical Property of 2-Azaniumyl-2,2-diphenylacetate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.44E-06mmHg at 25°C
• Melting Point: 245-247 °C
• Refractive Index: 1.62
• Boiling Point: 383.5 °C at 760 mmHg
• PKA: 1.38±0.10(Predicted)
• Flash Point: 185.7 °C
• PSA: 63.32000
• Density: 1.231 g/cm₃
• LogP: 2.67380
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• Water Solubility.: It is sparingly soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

2,2-Diphenylglycine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[NH3+]
• Description: 2, 2-Diphenylglycine is a highly similar analogue and the simplest aromatic peptide. It can be used as a synthesis reagent for amination reactions. It is a useful intermediate in pharmaceutical and in organic synthesis. Its derivatives have been also be shown to exhibit anticonvulsants activity and can be used for the treatment of pain.
• Uses: 2,2-Diphenylglycine is used as a synthesis reagent for amination reactions. It acts as an intermediate in pharmaceutical and in organic synthesis.

Technology Process of 2-Azaniumyl-2,2-diphenylacetate

There total 22 articles about 2-Azaniumyl-2,2-diphenylacetate 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%

phenythoin (57-41-0) → 2,2-diphenylglycine (3060-50-2)

Guidance literature:

With sodium hydroxide; at 180 - 185 ℃; for 27h;

DOI:10.1021/jo00202a021

Reference yield: 23.0%

P,P,P-triphenyl-N-(2,2,2-trichloro-1,2-diphenylethyl)phosphine imide (74255-73-5) → Triphenylphosphine oxide (791-28-6) + 2,2-diphenylglycine (3060-50-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 5h; Heating;

Reference yield:

Benzilic acid (76-93-7) → 2,2-diphenylglycine (3060-50-2)

Guidance literature:

With thionyl chloride; ammonia;

DOI:10.1021/ja01636a031

upstream raw materials:

5,5-diphenyl-3,5-dihydro-imidazol-4-one

chloro(diphenyl)acetic acid

azido-diphenyl-acetic acid

phenythoin

Downstream raw materials:

diphenyl-(2,2,2-trifluoro-acetylamino)-acetic acid

2.2-Diphenylhydantoinsaeure

formylamino-diphenyl-acetic acid

N-benzoyl-2-amino-2,2-diphenylacetic acid

Refernces

• 1、 Jirgensons,Kauss,Kalvinsh,Gold. "A practical synthesis of tert-alkylamines via the ritter reaction with chloroacetonitrile". . p. 1709 - 1712. Retrieved 2007/10/03.
• 2、 Skelly, Patricia D.,Ray, Warren J.,Timberlake, Jack W.. "Synthesis of 3-tert-Alkyl-2,4-imidazolidinediones". . p. 267 - 268. Retrieved 2007/10/02.