Benzoxazole, 2-(1-piperidinyl)-

Base Information

• Chemical Name: Benzoxazole, 2-(1-piperidinyl)-
• CAS No.: 2851-09-4
• Molecular Formula: C12H14N2O
• Molecular Weight: 202.256
• Hs Code.: 2934999090
• European Community (EC) Number: 220-660-5
• UNII: RG64ANK4BD
• DSSTox Substance ID: DTXSID2062668
• Nikkaji Number: J306.779C
• Wikidata: Q81990180
• ChEMBL ID: CHEMBL102655
• Mol file: 2851-09-4.mol

Synonyms:2-Piperidinobenzoxazole;Benzoxazole, 2-(1-piperidinyl)-;2851-09-4;2-piperidin-1-yl-1,3-benzoxazole;2-(piperidin-1-yl)benzo[d]oxazole;2-(PIPERIDIN-1-YL)-1,3-BENZOXAZOLE;Benzoxazole, 2-piperidino-;RG64ANK4BD;2-(1-Piperidinyl)benzoxazole;2-Piperidino-1,3-benzoxazole;2-(piperidin-1-yl)benzoxazole;CHEMBL102655;SCHEMBL1981175;DTXSID2062668;EINECS 220-660-5;AKOS000671223;EU-0009292;F6610-7380

Chemical Property of Benzoxazole, 2-(1-piperidinyl)-

Chemical Property:

• Vapor Pressure: 0.000255mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 149.7°C
• PSA: 29.27000
• Density: 1.176g/cm³
• LogP: 2.88310
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3O2

Technology Process of Benzoxazole, 2-(1-piperidinyl)-

There total 31 articles about Benzoxazole, 2-(1-piperidinyl)- 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%

piperidine (110-89-4) + 2-chloro-1,3-benzoxazole (615-18-9) → 2-(piperidin-1-yl)-1,3-benzoxazole (2851-09-4)

Guidance literature:

With potassium phosphate; (1,3,5-triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate; copper(II) acetate monohydrate; In water; at 30 ℃; for 22h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.1c00845

Reference yield: 96.0%

piperidine (110-89-4) + benzoxazole (273-53-0,29791-96-6) → 2-(piperidin-1-yl)-1,3-benzoxazole (2851-09-4)

Guidance literature:

With copper(II)-exchanged H-USY zeolite; at 50 ℃; for 24h;

DOI:10.1039/c9cy02153a

Reference yield: 95.0%

N-Formylpiperidine (2591-86-8) + benzoxazole (273-53-0,29791-96-6) → 2-(piperidin-1-yl)-1,3-benzoxazole (2851-09-4)

Guidance literature:

With 1H-imidazole; iron(III) chloride; at 130 ℃; for 12h;

DOI:10.1039/c0cc05811d

upstream raw materials:

piperidine

benzooxazole-2-sulfonic acid; potassium salt

benzo[d]oxazole-2-(3H)-thione

2-chloro-1,3-benzoxazole

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