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

Base Information

• Chemical Name: Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis-
• CAS No.: 5089-22-5
• Deprecated CAS: 1263217-20-4
• Molecular Formula: C24H14N2O2
• Molecular Weight: 362.387
• Hs Code.: 3204200000
• European Community (EC) Number: 225-803-5,613-200-3
• UNII: Z945S0K4ZW
• DSSTox Substance ID: DTXSID6063698
• Nikkaji Number: J203.290B
• Wikidata: Q27295166
• Mol file: 5089-22-5.mol

Synonyms:5089-22-5;1,4-Bis(benzo[d]oxazol-2-yl)naphthalene;1,4-Bis(2-benzoxazolyl)naphthalene;Fluorescent Brightener 367;Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis-;63310-10-1;Fluorescent whitening agent KCB;1,4-bis-Benzoxazolyl-naphthalene;C24H14N2O2;UNII-Z945S0K4ZW;2,2-(1,4-naphthalenediyl)bis-benzoxazole;Z945S0K4ZW;2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole;2,2'-(Naphthalene-1,4-diyl)bis(benzoxazole);EINECS 225-803-5;1,4-Di(benzo[d]oxazol-2-yl)naphthalene;Fluorescent brightener-KCB;Fluorescent Brightener KCB;1,4-Bis(benzoxazolyl-2-yl)naphthalene;C.I. Fluorescent Brightener 367;HOSTALUX KCB;Oprea1_504830;SCHEMBL30682;CBDivE_007888;LUMISIS B-1400;DIBENZOXAZOYL NAPHTHALENE;DTXSID6063698;MFCD00357168;STK396696;1,4-Bis(benzoxazole-2-yl)naphthalene;AKOS003614359;C24-H14-N2-O2;1,4-Bis-(benzoxazol-2-yl)naphthalene;CS-W009783;AC-10393;AS-15983;1,4-DI(2-BENZOXAZOLYL)NAPHTHALENE;FLUORESCENT BRIGHTENER 367 [INCI];B2728;FT-0659027;H10717;2,2'-naphthalene-1,4-diylbis(1,3-benzoxazole);A917575;BENZOXAZOLE, 2,2'-(1,4-NAPHTHYLENE)BIS-;Q-200079;Q27295166;F0909-0011;N-HYDROXY-4-(4-METHOXYPHENOXY)-3-NITROBENZENECARBOXIMIDAMIDE;1,4-BIS(BENZOXAZOLYL-2-YL)NAPHTHALENE;FLUORESCENT BRIGHTENER 367;C12=C(N=C(C3=C4C(C=CC=C4)=C(C(O5)=NC6=C5C=CC=C6)C=C3)O2)C=CC=C1

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

Chemical Property:

• Appearance/Colour: yellow to green crystalline powder
• Vapor Pressure: 1.8E-10mmHg at 25°C
• Melting Point: 210-212 °C
• Refractive Index: 1.731
• Boiling Point: 521.9 °C at 760 mmHg
• PKA: 1.24±0.10(Predicted)
• Flash Point: 263.1 °C
• PSA: 52.06000
• Density: 1.32 g/cm³
• LogP: 6.45620
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 362.105527694
• Heavy Atom Count: 28
• Complexity: 509

Purity/Quality:

99%min ^*data from raw suppliers

1,4-Bis(2-benzoxazolyl)naphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5

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

There total 6 articles about Benzoxazole, 2,2'-(1,4-naphthalenediyl)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: 81.0%

benzoxazole (273-53-0,29791-96-6) + 1,4-bis(methylthio)naphthalene (10075-73-7) → 1,4-di(benzoxazol-2-yl)naphthalene (5089-22-5)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); sodium t-butanolate; 1,2-bis-(dicyclohexylphosphino)ethane; In N,N-dimethyl-formamide; at 140 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b00510

Reference yield:

naphthalene-1,4-dicarboxylic acid (605-70-9) + 2-amino-phenol (95-55-6) → 1,4-di(benzoxazol-2-yl)naphthalene (5089-22-5)

Guidance literature:

tetrabutoxytitanium; In 1-methyl-pyrrolidin-2-one; at 225 ℃; under 15001.5 Torr; Product distribution / selectivity; Microwave irradiation; Cooling; Sealed tube;

Reference yield:

Naphthalene-1,4-dicarboxylic acid bis-[(2-hydroxy-phenyl)-amide] (5045-33-0) → 1,4-di(benzoxazol-2-yl)naphthalene (5089-22-5)

Guidance literature:

at 170 ℃; for 6h; Yield given;

DOI:10.1002/hlca.19800630212

upstream raw materials:

Naphthalene-1,4-dicarboxylic acid bis-[(2-hydroxy-phenyl)-amide]

naphthalene-1,4-dicarboxylic acid

1,4-naphthalenedicarboxylic acid dichloride

2-amino-phenol

Refernces

• 1、 -. "Method For Producing Bisbenzoxazoles". Page/Page column 6. . Retrieved 2010/04/23.