3-Benzooxazol-2-yl-phenylamine

Base Information

• Chemical Name: 3-Benzooxazol-2-yl-phenylamine
• CAS No.: 41373-36-8
• Molecular Formula: C13H10N2O
• Molecular Weight: 210.235
• Hs Code.: 2934999090
• European Community (EC) Number: 879-668-8
• DSSTox Substance ID: DTXSID20352194
• Wikidata: Q72445588
• Mol file: 41373-36-8.mol

Synonyms:3-Benzooxazol-2-yl-phenylamine;41373-36-8;3-(1,3-benzoxazol-2-yl)aniline;3-(benzo[d]oxazol-2-yl)aniline;MFCD00579110;TimTec1_000910;Oprea1_300087;Oprea1_344725;2-(3-Aminophenyl)benzoxazole;SCHEMBL760587;3-(benzooxazol-2-yl)phenylamine;2,6-DIMETHOXYCINNAMICACID;DTXSID20352194;WHVJDKRJPAKQIO-UHFFFAOYSA-N;HMS1536J08;BBL002084;STK345878;AKOS000108871;CCG-106452;VS-01016;BB 0220078;FT-0677218;EN300-235896;A934475;SR-01000431873;SR-01000431873-1;BRD-K98130736-001-01-2;Z57243677;F0913-0305

Chemical Property of 3-Benzooxazol-2-yl-phenylamine

Chemical Property:

• Melting Point: 178 °C
• Boiling Point: 375.2±25.0 °C(Predicted)
• PKA: 3.73±0.10(Predicted)
• PSA: 52.05000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 3.65820
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzooxazol-2-yl-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Benzooxazol-2-yl-phenylamine

There total 15 articles about 3-Benzooxazol-2-yl-phenylamine 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: 97.0%

→ 2-(3-hydroxyphenyl)benzothiazole (41373-36-8)

Guidance literature:

Reference yield: 89.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + 2-amino-phenol (95-55-6) → 2-(3-hydroxyphenyl)benzothiazole (41373-36-8)

Guidance literature:

With polyphosphoric acid; at 180 ℃; for 3h;

DOI:10.1021/acsinfecdis.0c00680

Reference yield: 88.9%

2-(3-nitrophenyl)benzoxazole (840-56-2) → 2-(3-hydroxyphenyl)benzothiazole (41373-36-8)

Guidance literature:

2-(3-nitrophenyl)benzoxazole; With nickel(II) chloride hexahydrate; In methanol; chloroform; at 0 - 5 ℃; for 0.166667h;

With sodium tetrahydroborate; In methanol; chloroform; at 20 ℃; for 1.5h;

DOI:10.1016/j.bioorg.2020.104170

upstream raw materials:

2-(3-nitrophenyl)benzoxazole

N-(2-hydroxyphenyl)-3-nitro-benzamide

2-amino-phenol

m-nitrobenzoic acid chloride

Downstream raw materials:

4-tert-butoxycarbonylamino-4-(3-benzooxazol-2-yl-phenylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester

2-(3-hydroxyphenyl)-1,3-benzoxazole

Refernces

• 1、 Malapati, Prasanthi,Krishna, Vagolu Siva,Nallangi, Radhika,Srilakshmi, Rudraraju Reshma,Sriram, Dharmarajan. "Identification and development of benzoxazole derivatives as novel bacterial glutamate racemase inhibitors". . p. 23 - 34. Retrieved 2018.
• 2、 Openshaw, Roxanne,Maepa, Keletso,Benjamin, Stefan J.,Wainwright, Lauren,Combrinck, Jill M.,Hunter, Roger,Egan, Timothy J.. "A Diverse Range of Hemozoin Inhibiting Scaffolds Act on Plasmodium falciparum as Heme Complexes". . p. 362 - 376. Retrieved 2021/02/01.
• 3、 Datta, Dhrubajyoti,Debnath, Joy,Franzblau, Scott G.,Ghosh, Kalyan Sundar,Hari, Natarajan,Ma, Rui,Rana, Shiwani,Velappan, Anand Babu. "2-Aryl benzazole derived new class of anti-tubercular compounds: Endowed to eradicate mycobacterium tuberculosis in replicating and non-replicating forms". . . Retrieved 2020/09/04.