2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol

Base Information

• Chemical Name: 2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol
• CAS No.: 500735-47-7
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.45
• NSC Number: 736738
• DSSTox Substance ID: DTXSID60435137
• Nikkaji Number: J1.814.981H
• Wikidata: Q27166865
• Mol file: 500735-47-7.mol

Synonyms:500735-47-7;2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol;2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol;OlomoucineII;IN1181;SCHEMBL3514137;CHEBI:95098;DTXSID60435137;NSC736738;NSC-736738;Olomoucine II, >=97% (HPLC), powder;Olomoucine II - CAS 500735-47-7;Q27166865;6-(2-Hydroxybenzylamino)-2(R)-[[1-hydroxymethyl)propyl]amino]-9-isopropylpurine;olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxymethyl)propylamino]- 9-isopropylpurine

Chemical Property of 2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol

Chemical Property:

• PSA: 108.12000
• Density: 1.32
• LogP: 3.05370
• Storage Temp.: −20°C
• Solubility.: chloroform: 50 mg/mL, soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 370.21172409
• Heavy Atom Count: 27
• Complexity: 454

Purity/Quality:

98% ^*data from raw suppliers

Olomoucine II ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3O

Technology Process of 2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol

There total 3 articles about 2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol 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: 76.0%

2-aminobutanol (96-20-8,13054-87-0) + 2-[(2-chloro-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol (500568-72-9) → Olomoucine II (500735-47-7)

Guidance literature:

at 160 ℃; for 3h;

DOI:10.1016/S0960-894X(02)00693-5

Reference yield:

2-Hydroxybenzylamine (932-30-9) → Olomoucine II (500735-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / Et₃N / butan-1-ol / 2 h / 112 °C

2: 76 percent / 3 h / 160 °C

With triethylamine; In butan-1-ol;

DOI:10.1016/S0960-894X(02)00693-5

Reference yield:

2,6-dichloro-9-isopropyl-9H-purine (203436-45-7) → Olomoucine II (500735-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / Et₃N / butan-1-ol / 2 h / 112 °C

2: 76 percent / 3 h / 160 °C

With triethylamine; In butan-1-ol;

DOI:10.1016/S0960-894X(02)00693-5

upstream raw materials:

2-aminobutanol

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

2-Hydroxybenzylamine

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

Refernces