Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid

Base Information

• Chemical Name: Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid
• CAS No.: 59510-79-1
• Molecular Formula: C11H10 Cl3 N O4
• Molecular Weight: 326.564
• European Community (EC) Number: 261-792-3
• DSSTox Substance ID: DTXSID901186109
• Nikkaji Number: J298.176I
• Mol file: 59510-79-1.mol

Synonyms:59510-79-1;Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid;EINECS 261-792-3;phenyl[[(2,2,2-trichloroethoxy)carbonyl]amino]acetic acid;alpha-[[(2,2,2-Trichloroethoxy)carbonyl]amino]benzeneacetic acid;C11H10Cl3NO4;C11-H10-Cl3-N-O4;SCHEMBL10493249;DTXSID901186109;2-phenyl-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}acetic acid

Chemical Property of Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid

Chemical Property:

• PSA: 75.63000
• LogP: 3.29960
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 324.967541
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

99% ^*data from raw 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)NC(=O)OCC(Cl)(Cl)Cl

Technology Process of Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid

There total 1 articles about Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)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:

→ D-2-(2,2,2-trichloroethoxycarbonylamino)-2-phenylacetic acid (59510-79-1)

Guidance literature:

DOI:10.1021/jo00808a021

Reference yield: 56.0%

D-2-(2,2,2-trichloroethoxycarbonylamino)-2-phenylacetic acid (59510-79-1) + ((2R,3R)-3-Amino-2-benzylsulfanyl-4-oxo-azetidin-1-yl)-acetic acid 2,2,2-trichloro-ethyl ester (202919-11-7) → {(2R,3R)-2-Benzylsulfanyl-4-oxo-3-[2-phenyl-2-(2,2,2-trichloro-ethoxycarbonylamino)-acetylamino]-azetidin-1-yl}-acetic acid 2,2,2-trichloro-ethyl ester

Guidance literature:

With dmap; dacarbazine; In dichloromethane; 1.) 0 deg C, 1 h, 2.) 20 deg C, 3 h;

Reference yield:

oxalyl dichloride (79-37-8) + D-2-(2,2,2-trichloroethoxycarbonylamino)-2-phenylacetic acid (59510-79-1) → t-butyl 7β-[D-2-(2,2,2-trichloroethoxycarbonylamino)-2-phenylacetamido]-7α-formamidocephalosporanate

Guidance literature:

In N-methyl-acetamide; dichloromethane; toluene;

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