tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

Base Information

• Chemical Name: tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
• CAS No.: 690632-38-3
• Molecular Formula: C18H22BrNO4
• Molecular Weight: 396.281
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00383385
• Wikidata: Q72502568
• Mol file: 690632-38-3.mol

Synonyms:690632-38-3;tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate;tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;MFCD05865132;tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro(chromene-2,4'-piperidine)-1'-carboxylate;tert-butyl 6-bromo-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate;tert-butyl 6-bromo-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate;C18H22BrNO4;SCHEMBL308621;SCHEMBL3490895;DTXSID00383385;ZUKYLVHOLKDNGX-UHFFFAOYSA-N;AKOS015919872;CS-W000686;DS-0755;tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1H-spiro(chromene-2,4-piperidine)-1-carboxylate;SY111443;FT-0658672;6-bromo-1'-(tert-butoxycarbonyl)spiro[chroman-2,4'-piperidin]-4-one;Tert-butyl 6-bromo-4-oxospiro-[chroman-2,4'-piperidine]-1'-carboxylate;tert-butyl-6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate;tert-Butyl6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate;6-bromo-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester;1 inverted exclamation mark -Boc-6-bromospiro[chroman-2,4 inverted exclamation mark -piperidin]-4-one

Chemical Property of tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

Chemical Property:

• Boiling Point: 501.3oC at 760 mmHg
• Flash Point: 257oC
• PSA: 55.84000
• Density: 1.44g/cm3
• LogP: 4.12190
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 395.07322
• Heavy Atom Count: 24
• Complexity: 508

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)Br

Technology Process of tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

There total 1 articles about tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate 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: 87.0%

4'-bromo-2'-hydroxyacetophenone (30186-18-6) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → tert-butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate (690632-38-3)

Guidance literature:

With pyrrolidine; In methanol; at 60 - 65 ℃; for 3h;

Reference yield: 100.0%

tert-butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate (690632-38-3) → 6-bromospiro[chroman-2,4'-piperidin]-4-one hydrochloride (921760-46-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 20 ℃; for 1.5h;

Reference yield: 99.0%

tert-butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate (690632-38-3) → 6-bromospiro[chroman-2,4'-piperidin]-4-one (690632-08-7)

Guidance literature:

tert-butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

With sodium hydroxide; In ethyl acetate;

upstream raw materials:

4'-bromo-2'-hydroxyacetophenone

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

3-{1'-tert-butoxycarbonyl-4-oxospiro[chroman-2,4'-piperidin]-6-yl}benzoic acid

tert-butyl 6-cyano-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

6-bromospiro[chroman-2,4'-piperidin]-4-one hydrochloride

6-bromospiro[chroman-2,4'-piperidin]-4-one