1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-

Base Information

Chemical Name:1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-
CAS No.:77456-44-1
Molecular Formula:C13H12N4OS
Molecular Weight:272.3256
Hs Code.:
DSSTox Substance ID:DTXSID20228168
Wikidata:Q83108119
ChEMBL ID:CHEMBL159264

Synonyms:8-(2-Methoxy-4-(methylthio)phenyl)-1H-purine;1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-;8-(2-Methoxy-4-methylmercapto-phenyl)-purin [German];8-(2-Methoxy-4-methylmercapto-phenyl)-purin;77456-44-1;CHEMBL159264;SCHEMBL11233387;DTXSID20228168;XHVSPLBWACNWCF-UHFFFAOYSA-N;LS-127108;8-(2-methoxy-4-methylmercaptophenyl)-purine;8-(2-Methoxy-4-methylmercapto-phenyl)-purine

Suppliers and Price of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-

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 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-

Chemical Property:

Vapor Pressure:2.02E-10mmHg at 25°C
Boiling Point:507.5°Cat760mmHg
Flash Point:260.7°C
Density:1.39g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:272.07318219
Heavy Atom Count:19
Complexity:306

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)SC)C2=NC3=NC=NC=C3N2

Technology Process of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-

There total 4 articles about 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- 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: 35.0%

: 13754-19-3
4,5-pyrimidinediamine

: 72856-73-6
2-methoxy-4-(methylsulfanyl)benzoic acid

: 77456-44-1
8-(2-methoxy-4-methylthiophenyl)purine

Guidance literature:: With trichlorophosphate; for 4h; Heating;
DOI:10.1016/0223-5234(90)90141-O

Reference yield:

: 4093-29-2
methyl 4-(acetylamino)-o-anisate

: 77456-44-1
8-(2-methoxy-4-methylthiophenyl)purine

Guidance literature:: Multi-step reaction with 4 steps

1: 87 percent / 10percent NaOH / 3 h / Heating

2: NaNO₂, HCl / H₂O / 0.5 h / 0 - 5 °C

3: 41 percent / Cu / 1.) from 0 deg C to 20 deg C, 3 h, 2.) RT, overnight

4: 35 percent / phosphoryl chloride / 4 h / Heating

With hydrogenchloride; sodium hydroxide; copper; sodium nitrite; trichlorophosphate; In water;
DOI:10.1016/0223-5234(90)90141-O

Reference yield:

: 2486-80-8
4-amino-2-methoxybenzoic acid

: 77456-44-1
8-(2-methoxy-4-methylthiophenyl)purine

Guidance literature:: Multi-step reaction with 3 steps

1: NaNO₂, HCl / H₂O / 0.5 h / 0 - 5 °C

2: 41 percent / Cu / 1.) from 0 deg C to 20 deg C, 3 h, 2.) RT, overnight

3: 35 percent / phosphoryl chloride / 4 h / Heating

With hydrogenchloride; copper; sodium nitrite; trichlorophosphate; In water;
DOI:10.1016/0223-5234(90)90141-O