N-(4-Bromophenyl)benzo[d]oxazol-2-amine

Base Information

• Chemical Name: N-(4-Bromophenyl)benzo[d]oxazol-2-amine
• CAS No.: 93186-69-7
• Molecular Formula: C13H9BrN2O
• Molecular Weight: 289.131
• DSSTox Substance ID: DTXSID90361273
• Nikkaji Number: J2.312.606K
• Wikidata: Q82143540
• Mol file: 93186-69-7.mol

Synonyms:N-(4-Bromophenyl)benzo[d]oxazol-2-amine;93186-69-7;N-(4-bromophenyl)-1,3-benzoxazol-2-amine;SCHEMBL1752742;DTXSID90361273;AKOS016006772;N-(4-Bromophenyl)benzoxazole-2-amine;FT-0689677;N-(1,3-benzoxazol-2-yl)-N-(4-bromophenyl)amine;Z55888974

Chemical Property of N-(4-Bromophenyl)benzo[d]oxazol-2-amine

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 287.98983
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)Br

Technology Process of N-(4-Bromophenyl)benzo[d]oxazol-2-amine

There total 6 articles about N-(4-Bromophenyl)benzo[d]oxazol-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: 93.0%

2-amino-phenol (95-55-6) + 4-Bromophenyl isothiocyanate (1985-12-2) → 4-(benzo[d]oxazol-2-ylamino)phenyl bromide (93186-69-7)

Guidance literature:

With mutagenized vitreoscilla hemoglobin incorporating a cobalt porphyrin cofactor; air; In water; dimethyl sulfoxide; at 20 ℃; for 12h; Green chemistry;

DOI:10.1039/d1gc02533c

Reference yield: 91.0%

N-(4-bromo-phenyl)-N'-(2-hydroxy-phenyl)-thiourea (502759-98-0) → 4-(benzo[d]oxazol-2-ylamino)phenyl bromide (93186-69-7)

Guidance literature:

With caesium carbonate; eosin y; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Irradiation;

DOI:10.1016/j.tetlet.2015.11.089

Reference yield: 84.0%

carbon disulfide (75-15-0,12122-00-8) + 2-amino-phenol (95-55-6) + 4-bromo-aniline (106-40-1) → 4-(benzo[d]oxazol-2-ylamino)phenyl bromide (93186-69-7)

Guidance literature:

carbon disulfide; 4-bromo-aniline; With potassium hydroxide; at 20 ℃; for 1.16667h; Milling; Green chemistry;

2-amino-phenol; With ferric chloride hexahydrate; at 20 ℃; for 1h; Milling; Green chemistry;

DOI:10.1246/cl.141127

upstream raw materials:

2-amino-phenol

4-Bromophenyl isothiocyanate

2-chloro-1,3-benzoxazole

4-bromo-aniline

Downstream raw materials:

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