8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

Base Information

Chemical Name:8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
CAS No.:852030-47-8
Molecular Formula:C₁₇H₁₄BrN₅O₂S
Molecular Weight:432.3
Hs Code.:2934999090
ChEMBL ID:CHEMBL365159
DSSTox Substance ID:DTXSID70464953
Pharos Ligand ID:CPAMDBLGKXWT
Wikidata:Q81986020
Mol file:852030-47-8.mol

Synonyms:852030-47-8;8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine;CHEMBL365159;8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynylpurin-6-amine;8-(6-Bromobenzo[d][1,3]dioxol-5-ylthio)-9-(pent-4-ynyl)-9H-purin-6-amine;8-[(6-Bromo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine;PU-H58;SCHEMBL1855911;DTXSID70464953;BDBM50165272;8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine

Suppliers and Price of 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

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
Packaging
price

Crysdot
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine 95+%
1g
$ 947.00

Chemenu
8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine 95%
1g
$ 893.00

American Custom Chemicals Corporation
8-((6-BROMOBENZO[D][1,3]DIOXOL-5-YL)THIO)-9-(PENT-4-YN-1-YL)-9H-PURIN-6-AMINE 95.00%
5MG
$ 503.49

Alichem
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
1g
$ 783.36

Total 4 raw suppliers

Chemical Property of 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

Chemical Property:

Boiling Point:628.7±65.0 °C(Predicted)
PKA:3.33±0.10(Predicted)
PSA：113.38000
Density:1.70±0.1 g/cm3(Predicted)
LogP:4.04550
Storage Temp.:2-8°C
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:431.00516
Heavy Atom Count:26
Complexity:549

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)Br)N

Technology Process of 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

There total 5 articles about 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine 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: 68.0%

: 852030-25-2
8-(7-bromo-2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)adenine

: 5390-04-5
pent-1-yn-5-ol

: 852030-47-8
8-(6-bromo-3,4-methylenedioxyphenylthio)-9-(pent-4-ynyl)adenine

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1016/j.bmc.2010.05.075

Reference yield: 48.0%

: 852030-25-2
8-(7-bromo-2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)adenine

: 77758-50-0
4-pentynyl-1-tosylate

: 852030-47-8
8-(6-bromo-3,4-methylenedioxyphenylthio)-9-(pent-4-ynyl)adenine

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.5h;
DOI:10.1021/jm049012b

Reference yield:

: 94670-76-5
1-bromo-2-iodo-4,5-(methylenedioxy)benzene

: 852030-47-8
8-(6-bromo-3,4-methylenedioxyphenylthio)-9-(pent-4-ynyl)adenine

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / neocuproine hydrate; CuI; NaO-t-Bu / dimethylformamide / 24 h / Heating

2: Cs₂CO₃ / dimethylformamide / 0.5 h / 80 °C

With copper(l) iodide; 2.9-dimethyl-1,10-phenanthroline; caesium carbonate; sodium t-butanolate; In N,N-dimethyl-formamide;
DOI:10.1021/jm0508078