2-Benzoxazolamine, 5-chloro-N-phenyl-

Base Information

• Chemical Name: 2-Benzoxazolamine, 5-chloro-N-phenyl-
• CAS No.: 79558-94-4
• Molecular Formula: C13H9ClN2O
• Molecular Weight: 244.68
• UNII: 9DN4K3698N
• ChEMBL ID: CHEMBL1269620
• DSSTox Substance ID: DTXSID50406795
• Nikkaji Number: J3.559.656I
• Wikidata: Q82211889
• Mol file: 79558-94-4.mol

Synonyms:2-Benzoxazolamine, 5-chloro-N-phenyl-;79558-94-4;5-chloro-N-phenyl-1,3-benzoxazol-2-amine;5-Chloro-N-phenylbenzo[d]oxazol-2-amine;CHEMBL1269620;SCHEMBL3474865;DTXSID50406795;9DN4K3698N;5-Chloro-N-phenyl-2-benzoxazolamine;BDBM50329393;PD182540;2-Chloranyl-N-phenyl-1,3-benzoxazol-2-amine;VU0404023-1;N-(5-chloro-1,3-benzoxazol-2-yl)-N-phenylamine

Chemical Property of 2-Benzoxazolamine, 5-chloro-N-phenyl-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.0403406
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)Cl

Technology Process of 2-Benzoxazolamine, 5-chloro-N-phenyl-

There total 10 articles about 2-Benzoxazolamine, 5-chloro-N-phenyl- 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: 96.0%

N-(2-hydroxy-5-chlorophenyl)-N'-phenylthiourea (13528-20-6) → 5-chloro-N-phenyl-1,3-benzoxazole-2-amine (79558-94-4)

Guidance literature:

With potassium superoxide; In acetonitrile; at 20 ℃; for 2.5h;

DOI:10.1246/cl.1986.1291

Reference yield: 91.0%

phenyl isothiocyanate (103-72-0) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-N-phenyl-1,3-benzoxazole-2-amine (79558-94-4)

Guidance literature:

With sodium iodide; sodium chloride; In ethanol; water; at 20 ℃; for 4h; Electrochemical reaction; Green chemistry;

DOI:10.1039/d1gc01131f

Reference yield: 82.0%

5-chloro-2-methylsulfanyl-benzooxazole (64037-25-8) + aniline (62-53-3) → 5-chloro-N-phenyl-1,3-benzoxazole-2-amine (79558-94-4)

Guidance literature:

at 150 ℃; for 2.5h;

upstream raw materials:

5-chlorobenzo[d]oxazole-2(3H)-thione

aniline

2-hydroxy-5-chloro-aniline

N,N'-diphenyl-S-methyl isothiourea

Downstream raw materials:

5-(1-methyl-1H-indol-5-yl)-N-phenylbenzo[d]oxazol-2-amine

N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2-amine

2-(N-benzyl-N-phenetylamino)-5-chlorobenzoxazole

2-(N-benzyl-N-phenylamino)-5-chlorobenzoxazole