2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine

Base Information

• Chemical Name: 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine
• CAS No.: 500568-72-9
• Molecular Formula: C15H16ClN5O
• Molecular Weight: 317.778
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30445208
• Wikidata: Q82263561
• Mol file: 500568-72-9.mol

Synonyms:2-CHLORO-6-(2-HYDROXYBENZYLAMINO)-9-ISOPROPYLPURINE;500568-72-9;2-[[(2-chloro-9-propan-2-ylpurin-6-yl)amino]methyl]phenol;DTXSID30445208;ULFRMKKNRPRGIR-UHFFFAOYSA-N;AKOS030240485;FT-0664714;2-({[2-Chloro-9-(propan-2-yl)-9H-purin-6-yl]amino}methyl)phenol

Chemical Property of 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.69
• Boiling Point: 472.594°C at 760 mmHg
• PKA: 9.81±0.30(Predicted)
• Flash Point: 239.617°C
• PSA: 75.86000
• Density: 1.425g/cm³
• LogP: 3.45130
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 317.1043378
• Heavy Atom Count: 22
• Complexity: 372

Purity/Quality:

2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3O
• Uses: 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine (cas# 500568-72-9) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine

There total 3 articles about 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine 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: 95.0%

2-Hydroxybenzylamine (932-30-9) + 2,6-dichloro-9-isopropyl-9H-purine (203436-45-7) → 2-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol (500568-72-9)

Guidance literature:

With triethylamine; In butan-1-ol; at 115 ℃; for 3h;

DOI:10.1080/0049825021000012600

Reference yield:

2,6 dichloropurine (5451-40-1) → 2-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol (500568-72-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / K₂CO₃ / dimethylsulfoxide

2: 95 percent / (CH₃CH₂)3N / butan-1-ol / 3 h / 115 °C

With potassium carbonate; triethylamine; In dimethyl sulfoxide; butan-1-ol;

DOI:10.1080/0049825021000012600

Reference yield:

2,6-dichloro-7H-purine (5451-40-1) → 2-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol (500568-72-9)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 2 h / 20 - 25 °C / Inert atmosphere

2: triethylamine / propan-1-ol / 4 h / 90 °C / Inert atmosphere

With di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; In tetrahydrofuran; propan-1-ol; 1: |Mitsunobu Displacement;

DOI:10.1016/j.ejmech.2012.06.036

upstream raw materials:

2-Hydroxybenzylamine

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

2,6 dichloropurine

2,6-dichloro-7H-purine

Downstream raw materials:

Olomoucine II

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

C₂₀H₂₈N₆O₂

C₁₉H₂₆N₆O

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