2-[(2-Phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol

Base Information

• Chemical Name: 2-[(2-Phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
• CAS No.: 134221-91-3
• Molecular Formula: C₁₈H₁₅N₃O₂
• Molecular Weight: 305.336
• DSSTox Substance ID: DTXSID101333530
• ChEMBL ID: CHEMBL1423127
• Mol file: 134221-91-3.mol

Synonyms:MLS000762498;CHEMBL1423127;DTXSID101333530;HMS2785H08;2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol;STL345883;AKOS022140488;134221-91-3;SMR000438062;2-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol;2-(2-Phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-ethanol

Chemical Property of 2-[(2-Phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 305.116426730
• Heavy Atom Count: 23
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCO)OC4=CC=CC=C43

Technology Process of 2-[(2-Phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol

There total 3 articles about 2-[(2-Phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol 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: 65.0%

4-chloro-2-phenylbenzofuro<3,2-d>pyrimidine (134221-88-8) + ethanolamine (141-43-5) → 4-(2-hydroxyethylamino)-2-phenylbenzofuro<3,2-d>pyrimidine (134221-91-3)

Guidance literature:

a) 100 deg C, 2h, b) 130-150 deg C, 1h;

DOI:10.1002/jhet.5570280210

Reference yield:

3-amino[1]benzofuran-2-carbonitrile (62208-67-7) → 4-(2-hydroxyethylamino)-2-phenylbenzofuro<3,2-d>pyrimidine (134221-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) POCl₃ / 1) ice bath, 30 min, 2) 70 to 80 deg C, 3h

2: 65 percent / a) 100 deg C, 2h, b) 130-150 deg C, 1h

With trichlorophosphate;

DOI:10.1002/jhet.5570280210

Reference yield:

N,N-dimethylbenzamide (611-74-5) → 4-(2-hydroxyethylamino)-2-phenylbenzofuro<3,2-d>pyrimidine (134221-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) POCl₃ / 1) ice bath, 30 min, 2) 70 to 80 deg C, 3h

2: 65 percent / a) 100 deg C, 2h, b) 130-150 deg C, 1h

With trichlorophosphate;

DOI:10.1002/jhet.5570280210

upstream raw materials:

4-chloro-2-phenylbenzofuro<3,2-d>pyrimidine

ethanolamine

3-amino[1]benzofuran-2-carbonitrile

N,N-dimethylbenzamide

Downstream raw materials:

5-phenyl-2,3-dihydrobenzofuro<2,3-e>imidazo<1,2-c>pyrimidine