1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea

Base Information

• Chemical Name: 1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea
• CAS No.: 871266-88-5
• Molecular Formula: C₂₀H₁₆ClN₅S₂
• Molecular Weight: 425.966
• ChEMBL ID: CHEMBL3828590
• DSSTox Substance ID: DTXSID10468258
• Wikidata: Q82295406
• Mol file: 871266-88-5.mol

Synonyms:1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea;871266-88-5;CHEMBL3828590;DTXSID10468258;BDBM50189175

Chemical Property of 1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.754
• Boiling Point: 597.108°C at 760 mmHg
• Flash Point: 314.92°C
• PSA: 121.31000
• Density: 1.447g/cm³
• LogP: 5.23230
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 425.0535656
• Heavy Atom Count: 28
• Complexity: 513

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIBENZYL-1-(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)THIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=S)N(CC2=CC=CC=C2)C3=NC4=C(S3)N=CN=C4Cl

Technology Process of 1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea

There total 2 articles about 1,3-Dibenzyl-1-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)thiourea 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: 94.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + Benzyl isothiocyanate (622-78-6) → 1,3-dibenzyl-1-(7-chloro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)thiourea (871266-88-5)

Guidance literature:

With caesium carbonate; In acetonitrile; at 50 ℃; for 16h;

DOI:10.1021/jo0517702

Reference yield: 30.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + Benzyl isothiocyanate (622-78-6) → 1,3-dibenzyl-1-(7-chloro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)thiourea (871266-88-5) + 2-benzylamino-7-chlorothiazolo[5,4-d]pyrimidine

Guidance literature:

In acetonitrile; at 60 ℃; for 5h;

DOI:10.1021/acs.jmedchem.6b00552

upstream raw materials:

5-amino-4,6-dichloropyridimine

Benzyl isothiocyanate