2-(4-Bromomethylphenyl)benzoxazole

Base Information

• Chemical Name: 2-(4-Bromomethylphenyl)benzoxazole
• CAS No.: 24239-07-4
• Molecular Formula: C14H10BrNO
• Molecular Weight: 288.143
• DSSTox Substance ID: DTXSID40452746
• Wikidata: Q82273558
• Mol file: 24239-07-4.mol

Synonyms:2-[4-(bromomethyl)phenyl]-1,3-benzoxazole;4-(benzoxazol-2-yl)benzyl bromide;2-(4-bromomethylphenyl)benzoxazole;24239-07-4;SCHEMBL3421338;DTXSID40452746;4-(2-benzoxazolyl)benzyl bromide;4-(benzoxazol-2-yl)benzylbromide;4-(benzoxazol2-yl)benzyl bromide;LFOXZOBJWYTCTG-UHFFFAOYSA-N;4-(benzoxazol -2-yl)benzyl bromide;STL196749;AKOS005062072

Chemical Property of 2-(4-Bromomethylphenyl)benzoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 4.38970
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.99458
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*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)C3=CC=C(C=C3)CBr

Technology Process of 2-(4-Bromomethylphenyl)benzoxazole

There total 9 articles about 2-(4-Bromomethylphenyl)benzoxazole 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: 91.0%

2-(4-methylphenyl)-1,3-benzoxazole (835-71-2) → 2-(4-bromomethylphenyl)benzoxazole (24239-07-4)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 3h; Heating;

DOI:10.1007/BF00503327

Reference yield: 50.0%

4-bromomethylbenzoic Acid (6232-88-8) + 2-amino-phenol (95-55-6) → 2-(4-bromomethylphenyl)benzoxazole (24239-07-4)

Guidance literature:

With PPE; at 100 ℃; for 1h;

DOI:10.1002/ardp.198700019

Reference yield:

4-bromomethylbenzoyl chloride (52780-16-2) + 2-amino-phenol (95-55-6) → 2-(4-bromomethylphenyl)benzoxazole (24239-07-4)

Guidance literature:

4-bromomethylbenzoyl chloride; 2-amino-phenol; With pyridine; In toluene; at 80 ℃; for 1h; Cooling with ice;

With toluene-4-sulfonic acid; In toluene; for 20h; Reflux;

DOI:10.1016/j.bmcl.2016.06.074

upstream raw materials:

2-(4-methylphenyl)-1,3-benzoxazole

4-bromomethylbenzoic Acid

2-amino-phenol

2,6-dimethylpyridine

Downstream raw materials:

N-trityl-N-[2-(4-(benzoxazol-2-yl)benzyloxy)ethyl]-2-hydroxyethanamine

ethyl 2-[4-(benzoxazol-2-yl)benzyl]-N-(diphenylmethylene)glycine

(4-benzooxazol-2-yl-phenyl)-acetonitrile

Refernces

• 1、 Corsano,Strappaghetti,Castagnino. "Synthesis and calcium-antagonist activity of some phosphonates". . p. 1118 - 1123. Retrieved 1987.
• 2、 -. "Two-photon fluorescent material benzoxazole-based pyridinium salt as well as preparation method and application thereof". Paragraph 0045; 0046. . Retrieved 2018/03/01.