4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate

Base Information

• Chemical Name: 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate
• CAS No.: 769951-32-8
• Molecular Formula: C₆H₆N₄*H₂O₄S
• Molecular Weight: 232.22
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID60466926
• Mol file: 769951-32-8.mol

Synonyms:769951-32-8;4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate;7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE SULFATE;7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate;4-AMINO-7H-PYRROLO[2,3-D]PYRIMIDINE SULFATE;7H-pyrrolo[2,3-d]pyrimidin-4-amine;sulfuric acid;7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulfuric acid;C6H8N4O4S;1H-Pyrrolo[2,3-d]pyrimidin-4-amine sulfate;SCHEMBL14736382;DTXSID60466926;CL3421;AKOS005073803;6-Amino-7-deazapurine hydrogen sulfate;SS-3099;AC-23307;1H-Pyrrolo[2,3-d]pyrimidin-4-aminesulfate;AM20110228;CS-0171523;FT-0648884;FT-0650449;FT-0689608;A841395;A846604;7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINESULFATE;J-514417;7H-Pyrrolo[2 pound not3-d]pyrimidin-4-amine sulfate;Sulfuric acid--7H-pyrrolo[2,3-d]pyrimidin-4-amine (1/1);1H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate;4-Amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate

Chemical Property of 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate

Chemical Property:

• PSA: 150.57000
• LogP: 1.54930
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 232.02662592
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-7h-pyrrolo[2,3-d]pyrimidinehydrogensulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=NC=NC(=C21)N.OS(=O)(=O)O

Technology Process of 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate

There total 3 articles about 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate 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: 84.0%

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfinic acid (1027082-25-2) → 4-amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate (769951-32-8)

Guidance literature:

With sulfuric acid; at 20 - 75 ℃; for 5.5h;

DOI:10.1021/jo0491096

Reference yield:

4,6-diamino-5-(2,2-diethoxyethyl)pyrimidine-2-thiol potassium salt → 4-amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate (769951-32-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 3.95 kg / aq. HCl / 50 °C

2: 99.1 percent / aq. KOH; hydrogen peroxide / 5 - 15 °C

3: 84 percent / sulfuric acid / 5.5 h / 20 - 75 °C

With hydrogenchloride; potassium hydroxide; sulfuric acid; dihydrogen peroxide;

DOI:10.1021/jo0491096

Reference yield:

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol (98198-24-4) → 4-amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate (769951-32-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 99.1 percent / aq. KOH; hydrogen peroxide / 5 - 15 °C

2: 84 percent / sulfuric acid / 5.5 h / 20 - 75 °C

With potassium hydroxide; sulfuric acid; dihydrogen peroxide;

DOI:10.1021/jo0491096

upstream raw materials:

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfinic acid

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol

Downstream raw materials:

2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isoindoline-1,3-dione

Refernces