2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol

Base Information

Chemical Name:2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol
CAS No.:237435-30-2
Molecular Formula:C12H9N3OS
Molecular Weight:243.289
Hs Code.:2933990090
DSSTox Substance ID:DTXSID50444430
Wikidata:Q82262566
Mol file:237435-30-2.mol

Synonyms:237435-30-2;2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol;2-Mercapto-6-phenyl-5H-pyrrolo-[3,2-d]pyrimidin-4-ol;6-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;6-phenyl-2-sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol;SCHEMBL5771808;SCHEMBL5771811;DTXSID50444430;AKOS015856729;A4953;FT-0682582;6-Phenyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

Suppliers and Price of 2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol

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

American Custom Chemicals Corporation
2-MERCAPTO-6-PHENYL-5H-PYRROLO-[3,2-D]PYRIMIDIN-4-OL 95.00%
1G
$ 685.21

Total 11 raw suppliers

Chemical Property of 2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol

Chemical Property:

PSA：100.60000
LogP:2.61920
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:243.04663309
Heavy Atom Count:17
Complexity:341

Purity/Quality:

97% ^*data from raw suppliers

2-MERCAPTO-6-PHENYL-5H-PYRROLO-[3,2-D]PYRIMIDIN-4-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC3=C(N2)C(=O)NC(=S)N3

Technology Process of 2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol

There total 3 articles about 2-mercapto-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol 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:

: 16182-04-0
Ethoxycarbonyl isothiocyanate

: 237435-27-7
ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylate

: 237435-30-2
6-phenyl-2-sulfanylpyrrolo[3,2-d]pyrimidin-4-ol

Guidance literature:: Ethoxycarbonyl isothiocyanate; ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylate; In benzene; at 90 ℃; for 1h;

With potassium hydroxide; at 100 ℃; for 15h; Further stages.;
DOI:10.1021/jm000269t

Reference yield:

: 614-16-4
Benzoylacetonitrile

: 237435-30-2
6-phenyl-2-sulfanylpyrrolo[3,2-d]pyrimidin-4-ol

Guidance literature:: Multi-step reaction with 3 steps

1.1: 57 percent / Et₃N / CH₂Cl₂ / 23 h / 0 - 22 °C

2.1: NaOEt / ethanol / 2 h / 20 °C

3.1: benzene / 1 h / 90 °C

3.2: 1.2 g / aq. KOH / 15 h / 100 °C

With sodium ethanolate; triethylamine; In ethanol; dichloromethane; benzene;
DOI:10.1021/jm000269t

Reference yield:

: 237435-26-6
2-cyano-1-phenylvinyl-4-methylbenzenesulfonate

: 237435-30-2
6-phenyl-2-sulfanylpyrrolo[3,2-d]pyrimidin-4-ol

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaOEt / ethanol / 2 h / 20 °C

2.1: benzene / 1 h / 90 °C

2.2: 1.2 g / aq. KOH / 15 h / 100 °C

With sodium ethanolate; In ethanol; benzene;
DOI:10.1021/jm000269t