(±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine

Base Information

• Chemical Name: (±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine
• CAS No.: 1082954-71-9
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.42
• Mol file: 1082954-71-9.mol

Synonyms:(±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine;A 987306

Chemical Property of (±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine

Chemical Property:

• Boiling Point: 630.7±65.0 °C(Predicted)
• PKA: 8.70±0.10(Predicted)
• PSA: 77.03000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 2.03860
• Storage Temp.: Store at -20°C
• Solubility.: <32.74mg/ml in DMSO; <32.74mg/ml in ethanol

Purity/Quality:

98%min ^*data from raw suppliers

A 987306 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A 987306 is an H4 receptor antagonist and has been studied as an H4 modulator towards the potential treatment of diseases.

Technology Process of (±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine

There total 4 articles about (±)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine 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: 73.0%

piperazine (110-85-0) + cis-2-amino-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-4-yl-4-methylbenzenesulfonate → cis-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (1082954-71-9)

Guidance literature:

With triethylamine; In acetonitrile; at 85 ℃; for 16h;

DOI:10.1021/jm8007618

Reference yield:

piperazine (110-85-0) + 2-amino-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-4-yl 4-methyl-benzenesulfonate (1192799-76-0) → 4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-2-amine (1192799-73-7,1082954-71-9)

Guidance literature:

With triethylamine; In acetonitrile; at 90 ℃; for 16h;

Reference yield:

(-)-tert-butyl 4-[(7aS*,11aS*)-2-amino-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-4-yl]piperazine-1-carboxylate → (-)-(7aS*,11aS*)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3h]quinazolin-2-amine (1082954-71-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 0.0166667h; Cooling with ice;

upstream raw materials:

piperazine

2-amino-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-4-yl 4-methyl-benzenesulfonate

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