AKOS BBS-00005612

Base Information

• Chemical Name: AKOS BBS-00005612
• CAS No.: 70638-56-1
• Molecular Formula: C11H6ClN3OS
• Molecular Weight: 263.707
• Mol file: 70638-56-1.mol

Synonyms:

Chemical Property of AKOS BBS-00005612

Chemical Property:

• Melting Point: 252 °C
• PKA: 5.43±0.25(Predicted)
• PSA: 108.60000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 2.66298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS BBS-00005612

There total 5 articles about AKOS BBS-00005612 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: 83.0%

4-chlorobenzaldehyde (104-88-1) + thiourea (17356-08-0) + ethyl 2-cyanoacetate (105-56-6) → 5-cyano-6-(4-chlorophenyl)-2-thiouracil (70638-56-1)

Guidance literature:

With potassium carbonate; In ethanol; for 0.1h; Time; Microwave irradiation; Reflux;

DOI:10.1016/j.bmcl.2012.10.032

Reference yield:

Potassium; 6-(4-chloro-phenyl)-5-cyano-4-oxo-1,4-dihydro-pyrimidine-2-thiolate → 5-cyano-6-(4-chlorophenyl)-2-thiouracil (70638-56-1)

Guidance literature:

With acetic acid; In water; Yield given;

DOI:10.1080/07328319708001360

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 5-cyano-6-(4-chlorophenyl)-2-thiouracil (70638-56-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / ethanol / Heating

2: CH₃COOH / H₂O

With potassium carbonate; acetic acid; In ethanol; water;

DOI:10.1080/07328319708001360

upstream raw materials:

4-chlorobenzaldehyde

thiourea

ethyl 2-cyanoacetate

Downstream raw materials:

7-(4-chlorophenyl)-2,3-dihydro-5-oxo-5H-thiazolo<3,2-a>pyrimidine-6-carbonitrile

8-(4-chlorophenyl)-3,4-dihydro-6-oxo-5H-thiazolo<3,2-a>pyrimidine-7-carbonitrile

6-(4-chlorophenyl)-3,4-dihydro-3-(4-nitrobenzyl)-2-(4-nitrobenzylthio)-4-oxo-5-pyrimidinecarbonitrile

3-amino-7-(4-chlorophenyl)-5H-5-oxo-thiazolo<3,2-a>pyrimidine-2,6-dicarbonitrile