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

Base Information

• Chemical Name: 4-Amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol
• CAS No.: 98198-24-4
• Molecular Formula: C6H6N4S
• Molecular Weight: 166.206
• Hs Code.: 2933990090
• Mol file: 98198-24-4.mol

Synonyms:2H-Pyrrolo[2,3-d]pyrimidine-2-thione,4-amino-1,7-dihydro- (9CI);7H-Pyrrolo[2,3-d]pyrimidine-2-thiol, 4-amino- (6CI);

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

Chemical Property:

• Vapor Pressure: 8.48E-05mmHg at 25°C
• Refractive Index: 1.926
• Boiling Point: 502.545 °C at 760 mmHg
• PKA: 6.34±0.40(Predicted)
• Flash Point: 257.73 °C
• PSA: 106.39000
• Density: 1.61 g/cm³
• LogP: 1.41000
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

There total 3 articles about 4-Amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol 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: 91.0%

4,6-diamino-5-(2,2-diethoxyethyl)pyrimidine-2-thiol potassium salt → 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol (98198-24-4)

Guidance literature:

With hydrogenchloride; In water; at 0 - 50 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.11.006

Reference yield:

2-Cyan-4,4-diethoxybuttersaeurenitril (74895-37-7) → 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol (98198-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / ethanol / 0 °C / Reflux

2: hydrogenchloride / water / 1.17 h / 50 °C

With hydrogenchloride; potassium tert-butylate; In ethanol; water;

DOI:10.1248/cpb.c13-00249

Reference yield:

→ 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol (98198-24-4)

Guidance literature:

4.6-Diamino-2-mercapto-5-<2.2-diethoxy-ethyl>-pyrimidin,n-HCl;

DOI:10.1039/jr9600000131

upstream raw materials:

2-Cyan-4,4-diethoxybuttersaeurenitril

Downstream raw materials:

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

4-amino-7-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidine

1-(4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)-3-(3,4-dichlorophenyl)urea

1-(4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)-3-(3,5-bis(trifluoromethyl)phenyl)urea

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