5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]

Base Information

• Chemical Name: 5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]
• CAS No.: 1298034-45-3
• Molecular Formula: C₁₇H₂₄N₂O
• Molecular Weight: 272.39
• DSSTox Substance ID: DTXSID801139298

Synonyms:1298034-45-3;5-(CYCLOPROPYLMETHYL)-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4'-PIPERIDINE];DTXSID801139298;SB43977;5-(Cyclopropylmethyl)-4,5-dihydrospiro[1,5-benzoxazepine-2(3H),4'-piperidine]

Chemical Property of 5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.188863393
• Heavy Atom Count: 20
• Complexity: 336

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine] 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1CN2CCC3(CCNCC3)OC4=CC=CC=C42

Technology Process of 5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine]

There total 6 articles about 5-(Cyclopropylmethyl)-4,5-dihydro-3H-spiro[benzo[B][1,4]oxazepine-2,4'-piperidine] 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: 95.0%

1'-benzyl-5-(cyclopropylmethyl)-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine] (1298034-60-2) → 5-cyclopropyl-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine] (1298034-45-3)

Guidance literature:

With hydrogenchloride; 5% Pd(II)/C(eggshell); hydrogen; In methanol; at 20 ℃; for 7h;

DOI:10.1016/j.ejmech.2011.02.002

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 5-cyclopropyl-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine] (1298034-45-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: pyrrolidine / ethanol / Reflux

2.1: pyridine; hydroxylamine hydrochloride / ethanol / 22 h / 0 - 70 °C

3.1: diisobutylaluminium hydride / dichloromethane / 4 h / 0 °C

3.2: 0.33 h / 0 °C

3.3: 0 °C / pH > 9

4.1: potassium carbonate / N,N-dimethyl-formamide / 20 h / 50 °C

5.1: hydrogenchloride; 5% Pd(II)/C(eggshell); hydrogen / methanol / 7 h / 20 °C

With pyrrolidine; pyridine; hydrogenchloride; 5% Pd(II)/C(eggshell); hydroxylamine hydrochloride; hydrogen; diisobutylaluminium hydride; potassium carbonate; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; 3.1: Beckmann rearrangement / 3.2: Beckmann rearrangement / 3.3: Beckmann rearrangement;

DOI:10.1016/j.ejmech.2011.02.002

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 5-cyclopropyl-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine] (1298034-45-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: pyrrolidine / ethanol / Reflux

2.1: pyridine; hydroxylamine hydrochloride / ethanol / 22 h / 0 - 70 °C

3.1: diisobutylaluminium hydride / dichloromethane / 4 h / 0 °C

3.2: 0.33 h / 0 °C

3.3: 0 °C / pH > 9

4.1: potassium carbonate / N,N-dimethyl-formamide / 20 h / 50 °C

5.1: hydrogenchloride; 5% Pd(II)/C(eggshell); hydrogen / methanol / 7 h / 20 °C

With pyrrolidine; pyridine; hydrogenchloride; 5% Pd(II)/C(eggshell); hydroxylamine hydrochloride; hydrogen; diisobutylaluminium hydride; potassium carbonate; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; 3.1: Beckmann rearrangement / 3.2: Beckmann rearrangement / 3.3: Beckmann rearrangement;

DOI:10.1016/j.ejmech.2011.02.002

upstream raw materials:

1'-benzyl-5-(cyclopropylmethyl)-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine]

1-phenylmethyl-4-piperidone

o-hydroxyacetophenone

1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one

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