2,6-dichloro-9-isopropyl-9H-purine

Base Information

• Chemical Name: 2,6-dichloro-9-isopropyl-9H-purine
• CAS No.: 203436-45-7
• Molecular Formula: C8H8Cl2N4
• Molecular Weight: 231.084
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00459110
• Nikkaji Number: J1.819.341H
• Wikidata: Q82282735
• Mol file: 203436-45-7.mol

Synonyms:2,6-dichloro-9-isopropyl-9H-purine;203436-45-7;2,6-dichloro-9-(propan-2-yl)-9H-purine;2,6-DICHLORO-9-ISOPROPYLPURINE;9H-Purine, 2,6-dichloro-9-(1-methylethyl)-;2,6-dichloro-9-propan-2-ylpurine;2,6-Dichloro-9-isopropyl-purine;MFCD11047295;2,6-Dichloro-9-(1-methylethyl)-9H-purine;SCHEMBL539356;DTXSID00459110;GKEFDRUWUYSFGW-UHFFFAOYSA-N;2,6Dichloro-9-(2-propyl)purine;2,6-dichloro-9-(2-propyl)purine;AMY34698;CS-D1268;BBL103053;STL556862;AKOS016000608;SB16024;AS-19781;FT-0666582;EN300-1719927;A846517;W-206504;2,6-Dichloro-9-(1-methylethyl)-9H-purine, AldrichCPR;Z1269236850

Chemical Property of 2,6-dichloro-9-isopropyl-9H-purine

Chemical Property:

• Melting Point: 150-151oC
• Boiling Point: 315.1±52.0 °C(Predicted)
• PKA: -0.98±0.10(Predicted)
• PSA: 43.60000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 2.71400
• Storage Temp.: Refrigerator
• Solubility.: Acetone, Chloroform, Ethyl Acetate, Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.0126017
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dichloro-9-isopropylpurine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=NC2=C1N=C(N=C2Cl)Cl
• Uses: Bohemine cyclin-dependent kinase inhibitor for the treatment of leukemia or other cancer.

Technology Process of 2,6-dichloro-9-isopropyl-9H-purine

There total 11 articles about 2,6-dichloro-9-isopropyl-9H-purine 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: 90.02%

2-iodo-propane (75-30-9) + 2,6 dichloropurine (5451-40-1) → 2,6-dichloro-9-isopropyl-9H-purine (203436-45-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 15 ℃;

DOI:10.1016/j.ejmech.2019.111728

Reference yield: 88.0%

2,6 dichloropurine (5451-40-1) + isopropyl alcohol (67-63-0,8013-70-5) → 2,6-dichloro-9-isopropyl-9H-purine (203436-45-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 70 ℃; for 12h;

DOI:10.1021/jo070515+

Reference yield: 77.0%

isopropyl alcohol (67-63-0,8013-70-5) + 2,6-dichloro-7H-purine (5451-40-1) → 2,6-dichloro-9-isopropyl-9H-purine (203436-45-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 24.5h;

upstream raw materials:

2-iodo-propane

2,6 dichloropurine

isopropyl alcohol

isopropyl bromide

Downstream raw materials:

2-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol

2-chloro-6-(3-hydroxybenzylamino)-9-isopropylpurine

4-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol

9-isopropyl-2,6-bis(4-methoxyphenyl)purine