9H-Purine, 6-ethynyl-9-(phenylmethyl)-

Base Information

Chemical Name:9H-Purine, 6-ethynyl-9-(phenylmethyl)-
CAS No.:333780-81-7
Molecular Formula:C14H10N4
Molecular Weight:234.26
Hs Code.:
DSSTox Substance ID:DTXSID20476905
Nikkaji Number:J1.457.223F

Synonyms:9-Benzyl-6-ethynyl-9H-purine;333780-81-7;9H-Purine, 6-ethynyl-9-(phenylmethyl)-;9-BENZYL-6-ETHYNYLPURINE;DTXSID20476905

Suppliers and Price of 9H-Purine, 6-ethynyl-9-(phenylmethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 9H-Purine, 6-ethynyl-9-(phenylmethyl)-

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:234.090546336
Heavy Atom Count:18
Complexity:328

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Technology Process of 9H-Purine, 6-ethynyl-9-(phenylmethyl)-

There total 2 articles about 9H-Purine, 6-ethynyl-9-(phenylmethyl)- 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: 65.0%

: 477300-87-1
9-benzyl-6-[(trimethylsilyl)ethynyl]purine

: 333780-81-7
9-benzyl-6-ethynyl-9H-purine

Guidance literature:: With ammonia; In ethanol; at 20 ℃; for 3h;
DOI:10.1135/cccc20021223

Reference yield:

: 1928-76-3
9-benzyl-6-chloro-9H-purine

: 333780-81-7
9-benzyl-6-ethynyl-9H-purine

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / Et₃N / Pd(PPh₃)4; CuI / dimethylformamide / 7 h / 120 °C

2: 65 percent / NH₃ / ethanol / 3 h / 20 °C

With ammonia; triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; N,N-dimethyl-formamide; 1: Sonogashira reaction;
DOI:10.1135/cccc20021223