[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate

Base Information

Chemical Name:[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
CAS No.:5729-75-9
Molecular Formula:C₆H₁₂O₆
Molecular Weight:180.158
Hs Code.:
DSSTox Substance ID:DTXSID10368729
Wikidata:Q82155500
ChEMBL ID:CHEMBL1534269

Synonyms:[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate;5729-75-9;MLS000770211;CHEMBL1534269;DTXSID10368729;HMS1735I02;HMS2751J03;AKOS033714256;SMR000373093;SR-01000061314;SR-01000061314-1;Z19825169

Suppliers and Price of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate

Chemical Property:

Vapor Pressure:3.61E-08mmHg at 25°C
Boiling Point:446.5°C at 760 mmHg
Flash Point:223.9°C
Density:1.262g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:229.07389321
Heavy Atom Count:17
Complexity:284

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Technology Process of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate

There total 3 articles about [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate 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: 70.0%

: 154-17-6
D-2-deoxyglucose

: 64-18-6
formic acid

: 488-82-4
D-Arabitol

: 5729-75-9,6477-49-2,16722-47-7,16867-64-4,26234-81-1,79434-10-9,3442-69-1
3-deoxy-D-gluconic acid

Guidance literature:: With potassium hydroxide; dihydrogen peroxide; magnesium sulfate; In pyridine; at 40 ℃; for 18h; Product distribution; without Mg⁽²⁺⁾, further temperature;
DOI:10.1016/S0008-6215(00)85617-7

Reference yield:

: 154-17-6
D-2-deoxyglucose

: 64-18-6
formic acid

: 488-82-4
D-Arabitol

: 5729-75-9,6477-49-2,16722-47-7,16867-64-4,26234-81-1,79434-10-9,3442-69-1
3-deoxy-D-gluconic acid

: 75754-51-7,75754-52-8,137873-05-3,137873-23-5
2-deoxy-D-arabino-hexono-1,4-lactone

Guidance literature:: With alkaline H₂O₂; Mechanism; Product distribution; with Mg⁽²⁺⁾;
DOI:10.1016/S0008-6215(00)83678-2

Reference yield:

: 61-58-5,13299-15-5,13299-16-6,14215-77-1,14215-78-2,20789-85-9,23568-30-1,25494-04-6,34339-39-4,34339-40-7,34339-46-3,34339-47-4,114717-20-3,114717-21-4,137491-75-9,137491-76-0
2-deoxy-D-arabino-hexopyranose

: 5729-75-9,6477-49-2,16722-47-7,16867-64-4,26234-81-1,79434-10-9,3442-69-1
3-deoxy-D-gluconic acid

: 74516-89-5,79434-11-0,127558-99-0
calcium 2-deoxy-D-gluconate

: 2-Deoxy-~-glucono-l,5-lactone

: 42400-32-8
2-deoxy-D-arabino-hexono-1,4-lactone

Guidance literature:: With pyranose 2-oxidase; catalase; In water; at 22 ℃; for 144h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1002/(SICI)1521-3765(19981204)4:12<2442::AID-CHEM2442>3.0.CO;2-A