Benzoxazole, 2,2'-(1,4-butanediyl)bis-

Base Information

• Chemical Name: Benzoxazole, 2,2'-(1,4-butanediyl)bis-
• CAS No.: 2008-10-8
• Molecular Formula: C18H16N2O2
• Molecular Weight: 292.337
• Hs Code.: 2934999090
• NSC Number: 105893
• DSSTox Substance ID: DTXSID50295863
• Wikidata: Q72513805
• Mol file: 2008-10-8.mol

Synonyms:2008-10-8;benzoxazole, 2,2'-(1,4-butanediyl)bis-;2,2'-(1,4-BUTANEDIYL)BIS-1,3-BENZOXAZOLE;2-[4-(1,3-benzoxazol-2-yl)butyl]-1,3-benzoxazole;NSC105893;Cambridge id 5216993;NCIOpen2_007072;CBDivE_004469;SCHEMBL11399187;DTXSID50295863;STK368424;AKOS002662619;NSC-105893;2,2'-butane-1,4-diylbis(1,3-benzoxazole);AB00075563-01;SR-01000443114;SR-01000443114-1

Chemical Property of Benzoxazole, 2,2'-(1,4-butanediyl)bis-

Chemical Property:

• Boiling Point: 440.1 °C at 760 mmHg
• Flash Point: 213.3 °C
• PSA: 52.06000
• Density: 1.237 g/cm³
• LogP: 4.53440
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 292.121177757
• Heavy Atom Count: 22
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)CCCCC3=NC4=CC=CC=C4O3

Technology Process of Benzoxazole, 2,2'-(1,4-butanediyl)bis-

There total 4 articles about Benzoxazole, 2,2'-(1,4-butanediyl)bis- 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: 89.0%

Adipic acid (124-04-9) + 2-amino-phenol (95-55-6) → 2,2′‐(1,4‐butanediyl)bis‐1,3‐benzoxazole (2008-10-8)

Guidance literature:

With polyphosphoric acid; at 200 ℃; for 6h;

DOI:10.1016/j.ica.2017.10.023

Reference yield:

diethyl diiminoadipate dihydrochloride (1189-49-7) + 2-amino-phenol (95-55-6) → 2,2′‐(1,4‐butanediyl)bis‐1,3‐benzoxazole (2008-10-8)

Guidance literature:

In chloroform; Ambient temperature;

DOI:10.1007/BF01172537

Reference yield:

diethyl adipate (141-28-6) + 2-amino-phenol (95-55-6) → 2,2′‐(1,4‐butanediyl)bis‐1,3‐benzoxazole (2008-10-8)

Guidance literature:

upstream raw materials:

Adipic acid

2-amino-phenol

diethyl adipate

diethyl diiminoadipate dihydrochloride