Einecs 266-104-5

Base Information

• Chemical Name: Einecs 266-104-5
• CAS No.: 66069-34-9
• Molecular Formula: C12H20N2O5
• Molecular Weight: 272.301
• European Community (EC) Number: 266-104-5
• DSSTox Substance ID: DTXSID701045088
• Mol file: 66069-34-9.mol

Synonyms:EINECS 266-104-5;66069-34-9;EC 266-104-5;(2R-(2alpha,3Z,5alpha))-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with tert-butylamine (1:1);C8H9NO5.C4H11N;C8-H9-N-O5.C4-H11-N;SCHEMBL6898043;SCHEMBL10794461;DTXSID701045088

Chemical Property of Einecs 266-104-5

Chemical Property:

• Boiling Point: 545.8°Cat760mmHg
• Flash Point: 283.9°C
• PSA: 113.09000
• Density: g/cm³
• LogP: 0.28620
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 272.13722174
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N.C1C2N(C1=O)C(C(=CCO)O2)C(=O)O
• Isomeric SMILES: CC(C)(C)N.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O

Technology Process of Einecs 266-104-5

There total 1 articles about Einecs 266-104-5 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: 81.0%

tert-butylamine (75-64-9) + clavulanic acid (58001-44-8) → clavulanic acid tert-butylamine (66069-34-9)

Guidance literature:

In ethyl acetate;

upstream raw materials:

tert-butylamine

clavulanic acid

Refernces

• 1、 -. "Preparation of clavulanate salts". Page column 8. . Retrieved 2008/06/13.