3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one

Base Information

• Chemical Name: 3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one
• CAS No.: 215878-20-9
• Molecular Formula: C12H14 N2 O2
• Molecular Weight: 218.25200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90462299
• Wikidata: Q82286810
• Mol file: 215878-20-9.mol

Synonyms:3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one;215878-20-9;3-piperidin-4-yl-1,3-benzoxazol-2-one;3-(piperidin-4-yl)-2,3-dihydro-1,3-benzoxazol-2-one;3-(Piperidin-4-yl)benzo[d]oxazol-2(3H)-one;3-Piperidin-4-yl-3H-benzoxazol-2-one;3-(piperidin-4-yl)benzo[d]oxazol-2(3H)-one;SCHEMBL830500;DTXSID90462299;SDARRYSVKYQEIW-UHFFFAOYSA-N;AMY26844;MFCD09999150;AKOS015854449;3-(4-piperidinyl)benzoxazolidin-2-one;FS-2767;4-(2-oxo-3-benzoxazolinyl)-piperidine;FT-0646013;EN300-5485116

Chemical Property of 3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one

Chemical Property:

• Vapor Pressure: 3.05E-05mmHg at 25°C
• Boiling Point: 355.8oC at 760 mmHg
• Flash Point: 169oC
• PSA: 47.17000
• Density: 1.259g/cm3
• LogP: 1.84780
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1N2C3=CC=CC=C3OC2=O

Technology Process of 3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one

There total 7 articles about 3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one 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: 100.0%

tert-butyl-4-(2-oxobenzo[d]oxazole-3-(2H)-yl)piperidin-1-carboxylate (162045-53-6) → 4-[2(3H)-oxobenzoxazol-3-yl]piperidine (215878-20-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 1-(tert-butoxycarbonyl)-4-[(2-hydroxyphenyl)amino]piperidine (162045-48-9) → 4-[2(3H)-oxobenzoxazol-3-yl]piperidine (215878-20-9)

Guidance literature:

bis(trichloromethyl) carbonate; 1-(tert-butoxycarbonyl)-4-[(2-hydroxyphenyl)amino]piperidine; With pyridine; In tetrahydrofuran;

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 4-[2(3H)-oxobenzoxazol-3-yl]piperidine (215878-20-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH(OAc)3 / 1,2-dichloro-ethane / 20 °C

2: pyridine / tetrahydrofuran / 60 °C

3: conc. HCl / 50 °C

With pyridine; hydrogenchloride; sodium tris(acetoxy)borohydride; In tetrahydrofuran; 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2007.03.083

upstream raw materials:

tert-butyl-4-(2-oxobenzo[d]oxazole-3-(2H)-yl)piperidin-1-carboxylate

N-tert-butyloxycarbonylpiperidin-4-one

2-amino-phenol

1-(tert-butoxycarbonyl)-4-[(2-hydroxyphenyl)amino]piperidine

Downstream raw materials:

5-Chloro-1,1-dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one

1-[N²-[N-[[4-[2(3H)-oxobenzoxazol-3-yl]-1-piperidinyl]carbonyl]-3,5-dibromo-D-tyrosyl]-N⁶-(1,1-dimethylethoxycarbonyl)-L-lysyl]-4-(4-pyridinyl)-piperazine

3-(1-{3-[5-Acetyl-3-(4-bromo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperidin-4-yl)-3H-benzooxazol-2-one