(3-Amino-1-benzofuran-2-yl)(phenyl)methanone

Base Information

• Chemical Name: (3-Amino-1-benzofuran-2-yl)(phenyl)methanone
• CAS No.: 49615-93-2
• Molecular Formula: C15H11NO2
• Molecular Weight: 237.258
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60357562
• Nikkaji Number: J1.217.893J
• Wikidata: Q82137507
• ChEMBL ID: CHEMBL1580142
• Mol file: 49615-93-2.mol

Synonyms:49615-93-2;(3-amino-1-benzofuran-2-yl)(phenyl)methanone;2-benzoyl-1-benzofuran-3-amine;(3-amino-1-benzofuran-2-yl)-phenylmethanone;(3-Aminobenzofuran-2-yl)(phenyl)methanone;(3-Amino-benzofuran-2-yl)-phenyl-methanone;MLS000528874;SMR000121349;Opera_ID_1225;ChemDiv3_008143;Oprea1_102187;Oprea1_574511;2-benzoyl-3-aminobenzo-furan;SCHEMBL429754;CHEMBL1580142;DTXSID60357562;PZLZVWMURFZVHC-UHFFFAOYSA-N;HMS1496C03;HMS2343A09;HMS3434A12;MFCD00445250;STK864674;AKOS000267053;CCG-126295;IDI1_026053;NS-03229;CS-0246947;EU-0023087;EN300-34893;(3-amino-1-benzo[b]furan-2-yl)(phenyl)methanone;BRD-K48731382-001-01-5;Z56903727

Chemical Property of (3-Amino-1-benzofuran-2-yl)(phenyl)methanone

Chemical Property:

• PSA: 56.23000
• LogP: 3.82720
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

(3-Aminobenzofuran-2-yl)(phenyl)methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N

Technology Process of (3-Amino-1-benzofuran-2-yl)(phenyl)methanone

There total 5 articles about (3-Amino-1-benzofuran-2-yl)(phenyl)methanone 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: 100.0%

salicylonitrile (611-20-1) + α-bromoacetophenone (70-11-1) → (3-aminobenzo[b]furan-2-yl)phenylmethanone (49615-93-2)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 18h; Inert atmosphere;

Reference yield: 89.0%

2-(2-Oxo-2-phenylethoxy)benzonitrile (20143-50-4) → (3-aminobenzo[b]furan-2-yl)phenylmethanone (49615-93-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1135/cccc20000280

Reference yield:

salicylonitrile (611-20-1) → (3-aminobenzo[b]furan-2-yl)phenylmethanone (49615-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NaOH; H₂O / 2-methoxy-ethanol / 0.25 h / Heating

2: 89 percent / NaOMe / methanol / 0.5 h / 20 °C

With sodium hydroxide; water; sodium methylate; In methanol; 2-methoxy-ethanol; 1: Etherification / 2: Cyclization;

DOI:10.1135/cccc20000280

upstream raw materials:

salicylonitrile

α-bromoacetophenone

2-(2-Oxo-2-phenylethoxy)benzonitrile

Downstream raw materials:

3-amino-2-(α-hydroxyimino)benzylbenzofuran

3(2H)-benzofuranone hydrazone

benzoic acid hydrazide

3-Cyano-4-phenyl-2-oxo-1,2-dihydrobenzofuro<3,2-b>pyridine

Refernces

• 1、 Kamal, Mehnaz. "Synthesis and evaluation of some novel essential amino acid-benzofuran-acetamide/propanamide/butanamide hybrids as potential anticonvulsant agents". . p. 283 - 289. Retrieved 2020/09/18.
• 2、 -. "NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME". Paragraph 0145; 0146; 0147; 0148; 0149. . Retrieved 2018/01/05.