3-Amino-4-pyrazolecarboxamide hemisulfate

Base Information

• Chemical Name: 3-Amino-4-pyrazolecarboxamide hemisulfate
• CAS No.: 27511-79-1
• Molecular Formula: C8H14N8O6S
• Molecular Weight: 350.315
• Hs Code.: 29331990
• European Community (EC) Number: 248-503-6
• UNII: 6H5TH7QBY8
• DSSTox Substance ID: DTXSID90181933
• Mol file: 27511-79-1.mol

Synonyms:27511-79-1;3-Amino-4-pyrazolecarboxamide hemisulfate;3-Amino-1H-pyrazole-4-carboxamide Hemisulfate;5-Aminopyrazole-4-carboxamide hemisulphate;1H-Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1);3-Amino-1H-pyrazole-4-carboxamide sulfate(2:1);3-Amino-4-pyrazolecarboxamide hemisulfate salt;6H5TH7QBY8;3-Aminopyrazole-4-carboxamide Hemisulfate;EINECS 248-503-6;MFCD00013093;UNII-6H5TH7QBY8;3-Amino-4-carbamoylpyrazole Hemisulfate;3-Amino-4-carboxamidopyrazole hemisulfate;EC 248-503-6;5-Amino-1H-pyrazole-4-carboxamide Hemisulphate;3-Aminopyrazole-4-carboxamide hemisulphate;ALLOPURINOL IMPURITY A;DTXSID90181933;C4H6N4O.1/2H2O4S;UMPKASYMNORSRO-UHFFFAOYSA-N;AKOS005258529;AKOS030504524;CS-O-07140;CS-W009403;SB10163;3-Amino pyrazole carboxamide hemisulfate;AC-16100;AS-15536;SY020966;C4-H6-N4-O.1/2H2-O4-S;A5327;FT-0614907;1h-pirazol-4-carboxamida, 3-amino-, sulfato (2:1);Pyrazole-4-carboxamide 3-amino-sulfate (2:1) (8CI);3-AMINO-1H-PYRAZOLE-4-CARBOXAMIDE SULFATE (2:1);PYRAZOLE-4-CARBOXAMIDE, 3-AMINO-, SULFATE (2:1)

Chemical Property of 3-Amino-4-pyrazolecarboxamide hemisulfate

Chemical Property:

• Appearance/Colour: white to slightly beige powder
• Vapor Pressure: 1.93E-08mmHg at 25°C
• Melting Point: 224 °C (dec.)(lit.)
• Boiling Point: 454.3 °C at 760 mmHg
• Flash Point: 228.5 °C
• PSA: 278.56000
• Density: 0.84 g/cm³
• LogP: 1.17260
• Storage Temp.: -20?C Freezer
• Solubility.: DMSO (Slightly), Methanol (Very Slightly), Water (Slightly, Heated, Sonicated)
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 350.07570137
• Heavy Atom Count: 23
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-4-carbamoylpyrazoleHemisulfate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
• Uses: Allopurinol (A547300) impurity. A pyrazole derivative that has been shown to induce neoplasm immunogenicity. 3-Amino-4-pyrazolecarboxamide hemisulfate salt was used to prepare 3-carbamoyl derivatives. Reactant involved in synthesis of:Triazines and their phosphorus analogsPyrazolo[3,4-d]pyrimidines for use as cyclin-dependent kinase 2 inhibitors

Technology Process of 3-Amino-4-pyrazolecarboxamide hemisulfate

There total 1 articles about 3-Amino-4-pyrazolecarboxamide hemisulfate 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: 95.0%

→ 3-amino-4-pyrazolocarboxamide hemisulfate (27511-79-1)

Guidance literature:

Reference yield: 92.1%

3-amino-4-pyrazolocarboxamide hemisulfate (27511-79-1) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-hydroxypyrazolo-[3,4-d]-pyrimidine (73334-58-4)

Guidance literature:

With hydrogenchloride; In water; at 20 - 115 ℃; for 12h; pH=2.6; Temperature; pH-value; Concentration; Reagent/catalyst;

Reference yield: 76.0%

3-amino-4-pyrazolocarboxamide hemisulfate (27511-79-1) + Z-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-3-(4-hydroxy)anilino-2-propen-1-one (164666-91-5) → 5-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)pyrazolo<1,5-a>pyrimidine-3-carboxamide + 7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)pyrazolo<1,5-a>pyrimidine-3-carboxamide

Guidance literature:

In acetic acid; at 50 ℃; for 7h;

DOI:10.3987/COM-94-6972

Downstream raw materials:

Allopurinol

6-thioxo-1,5,6,7-tetrahydropyrazolo<3,4-d>pyrimidin-4-one

oxypurinol

4-hydroxypyrazolo-[3,4-d]-pyrimidine

Refernces