AKOS B018620

Base Information

• Chemical Name: AKOS B018620
• CAS No.: 433702-79-5
• Molecular Formula: C13H14N2O3S
• Molecular Weight: 278.33
• Hs Code.: 29335990
• Mol file: 433702-79-5.mol

Synonyms:TIMTEC-BB SBB009465;ART-CHEM-BB B018620;AKOS B018620;Ethyl (4-oxo-6,7-dihydro-cyclopenta[4,5]thieno-[2,3-d]pyrimidin-3-yl)acetate;(4-Oxo-2,3-dihydro-1H,4H-8-thia-5,7-diaza-cyclopenta[a]inden-5-yl)-acetic acid ethyl ester

Chemical Property of AKOS B018620

Chemical Property:

• Boiling Point: 478.8±55.0 °C(Predicted)
• PKA: -0.96±0.20(Predicted)
• PSA: 89.43000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.50980

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3-yl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS B018620

There total 3 articles about AKOS B018620 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:

ethyl bromoacetate (105-36-2) + 3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (14346-25-9) → C13H14N2O3S (433702-79-5)

Guidance literature:

With potassium carbonate; In acetone; at 55 ℃; for 48h;

DOI:10.1016/j.bmcl.2011.09.061

Reference yield:

ethyl 2-amino-4H,5H,6H-cyclopentenothiophene-3-carboxylate (4815-29-6) → C13H14N2O3S (433702-79-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.5 h / 200 °C

2: potassium carbonate / acetone / 48 h / 55 °C

With potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2011.09.061

Reference yield:

cyclopentanone (120-92-3) → C13H14N2O3S (433702-79-5)

Guidance literature:

Multi-step reaction with 3 steps

1: morpholine; aluminum oxide; sulfur / 0.25 h / Microwave irradiation

2: 1.5 h / 200 °C

3: potassium carbonate / acetone / 48 h / 55 °C

With morpholine; aluminum oxide; potassium carbonate; sulfur; In acetone;

DOI:10.1016/j.bmcl.2011.09.061

upstream raw materials:

ethyl 2-amino-4H,5H,6H-cyclopentenothiophene-3-carboxylate

ethyl bromoacetate

3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

cyclopentanone

Downstream raw materials:

N'-[(4-cyanophenyl)methylene]-(4-oxo-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone

N'-[(3-fluoro-4-chlorophenyl)methylene]-(4-oxo-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone