Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-

Base Information

• Chemical Name: Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-
• CAS No.: 840-57-3
• Molecular Formula: C15H14N2O
• Molecular Weight: 238.289
• DSSTox Substance ID: DTXSID60354076
• Nikkaji Number: J730.310F
• Wikidata: Q82132020
• Mol file: 840-57-3.mol

Synonyms:840-57-3;4-(benzo[d]oxazol-2-yl)-n,n-dimethylaniline;Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-;Cambridge id 5255697;Oprea1_649358;SCHEMBL61530;CBDivE_008348;DTXSID60354076;HMS1579L17;AKOS000634712;2-(4-dimethylaminophenyl)-1,3-benzoxazole;AB00076861-01

Chemical Property of Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

Technology Process of Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-

There total 17 articles about Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl- 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: 98.0%

2-amino-phenol (95-55-6) + 4-dimethylamino-benzaldehyde (100-10-7) → 2-(p-dimethylaminophenyl)benzoxazole (840-57-3)

Guidance literature:

With D-Glucose; oxygen; glucose oxidase; chloroperoxidase; for 12h; pH=6; Citrate buffer; Enzymatic reaction;

DOI:10.1016/j.tetlet.2010.06.012

Reference yield: 91.0%

p-N,N-dimethylaminobenzoic acid (619-84-1) + 2-amino-phenol (95-55-6) → 2-(p-dimethylaminophenyl)benzoxazole (840-57-3)

Guidance literature:

With PS-PPh₃; trichloroacetonitrile; In acetonitrile; at 150 ℃; for 0.25h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.05.052

Reference yield: 88.0%

benzoxazole (273-53-0,29791-96-6) + 4-bromo-N,N-dimethylaniline (586-77-6) → 2-(p-dimethylaminophenyl)benzoxazole (840-57-3)

Guidance literature:

With n-butyllithium; palladium diacetate; C₄₅H₃₅P₂⁽¹⁺⁾*CF₃O₃S^(1-); caesium carbonate; In dimethyl sulfoxide; at 50 ℃; for 14h; Inert atmosphere;

DOI:10.1016/j.cclet.2020.04.008

upstream raw materials:

2-amino-phenol

4-dimethylamino-benzaldehyde

2-(4-dimethylamino-benzylidenamino)-phenol

p-N,N-dimethylaminobenzoic acid