6-Isopropoxy-1H-purine

Base Information

Chemical Name:6-Isopropoxy-1H-purine
CAS No.:66085-16-3
Molecular Formula:C8H10N4O
Molecular Weight:178.194
Hs Code.:2933990090
European Community (EC) Number:266-126-5
DSSTox Substance ID:DTXSID30984581
Nikkaji Number:J349.336I
Wikidata:Q82971855
ChEMBL ID:CHEMBL2347448

Synonyms:6-Isopropoxy-1H-purine;66085-16-3;6-isopropoxy-9H-purine;EINECS 266-126-5;6-propan-2-yloxy-7H-purine;6-[(Isopropyl)oxy]purine;6-(propan-2-yloxy)-7H-purine;6-Isopropoxy-purine;SCHEMBL8939256;CHEMBL2347448;6-(propan-2-yloxy)-1H-purine;DTXSID30984581;6-[(Propan-2-yl)oxy]-9H-purine;AKOS006275101

Suppliers and Price of 6-Isopropoxy-1H-purine

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

AccelPharmtech
6-(1-methylethoxy)-9H-Purine 97.00%
25G
$ 4010.00

AccelPharmtech
6-(1-methylethoxy)-9H-Purine 97.00%
5G
$ 2180.00

Total 6 raw suppliers

Chemical Property of 6-Isopropoxy-1H-purine

Chemical Property:

Vapor Pressure:1.09E-06mmHg at 25°C
Boiling Point:414.2°Cat760mmHg
PKA:8.46±0.20(Predicted)
Flash Point:149.8°C
PSA：63.69000
Density:1.282g/cm³
LogP:1.14010
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:178.08546096
Heavy Atom Count:13
Complexity:176

Purity/Quality:

98%Min ^*data from raw suppliers

6-(1-methylethoxy)-9H-Purine 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=NC=NC2=C1NC=N2

Technology Process of 6-Isopropoxy-1H-purine

There total 2 articles about 6-Isopropoxy-1H-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: 90.0%

: 87-42-3
6-chloropurine

: 67-63-0,8013-70-5
isopropyl alcohol

: 66085-16-3
6-isopropoxypurine

Guidance literature:: With sodium isopropylate; for 18h; Heating;
DOI:10.1002/(SICI)1522-2675(19981216)81:12<2244::AID-HLCA2244>3.0.CO;2-I

Reference yield:

: 66085-16-3
6-isopropoxy-7⁽⁹⁾H-purine

Guidance literature:: /BRN= 8603/;

Reference yield:

: 66085-16-3
6-isopropoxypurine

: 195977-19-6
7-<5-O--2-deoxy-β-D-erythro-pentofuranosyl>-1,7-dihydro-6H-purine-6-one

Guidance literature:: Multi-step reaction with 4 steps

1: 32 percent / KOH, TDA-1 / acetonitrile / 0.33 h

2: 83 percent / NaOMe / methanol / 0.5 h / Ambient temperature

3: 80 percent / aq. NaOH / 2 h / 50 °C

4: 82 percent / 4-(dimethylamino)pyridine / pyridine / 5 h

With dmap; potassium hydroxide; sodium hydroxide; sodium methylate; In pyridine; methanol; acetonitrile;
DOI:10.1002/(SICI)1522-2675(19981216)81:12<2244::AID-HLCA2244>3.0.CO;2-I