spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

Base Information

• Chemical Name: spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride
• CAS No.: 85732-37-2
• Molecular Formula: C12H14N2O2.ClH
• Molecular Weight: 254.72
• Hs Code.: 2934999090
• European Community (EC) Number: 842-076-5
• DSSTox Substance ID: DTXSID60516511
• Mol file: 85732-37-2.mol

Synonyms:85732-37-2;spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride;spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride;SPIRO[BENZO[D][1,3]OXAZINE-4,4'-PIPERIDIN]-2(1H)-ONE HCL;QNADLUDHFUAJIK-UHFFFAOYSA-N;SCHEMBL1285606;DTXSID60516511;MFCD20921943;Spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-onehydrochloride;AKOS015999828;DS-14467;AM20041250;CS-0187644;FT-0736681;A23662;C76771;EN300-6487870;Z3235020096;spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one,hydrochloride;spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one hydrochloride;spiro[benzo[d][1,3]oxazin-4,4'-piperidin]-2(1H)-on hydrochloride;1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one hydrochloride;Spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one--hydrogen chloride (1/1)

Chemical Property of spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

Chemical Property:

• PSA: 53.85000
• LogP: 2.40740
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 254.0822054
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

99%, ^*data from raw suppliers

Spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-onehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC12C3=CC=CC=C3NC(=O)O2.Cl

Technology Process of spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

There total 7 articles about spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride 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: 85.5%

1'-benzyl-6-chlorospiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one (85732-38-3) → Spiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one (85732-37-2)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; water; at 40 ℃; for 20h;

DOI:10.1248/cpb.33.1129

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → Spiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one (85732-37-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 45.4 percent / n-butyllithium / hexane; tetrahydrofuran / -5 °C

2: 62.4 percent / 3 N H₂SO₄ / H₂O / 16 h / Heating

3: pyridine / 0 °C

4: aq. NaOH / methanol

5: 85.5 percent / hydrogen, 1N HCl / 10percent Pd-C / H₂O; methanol / 20 h / 40 °C

With pyridine; hydrogenchloride; sodium hydroxide; n-butyllithium; sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; water;

DOI:10.1248/cpb.33.1129

Reference yield:

N-(4-chlorophenyl)-2,2-dimethylpropionamide (65854-91-3) → Spiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one (85732-37-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 45.4 percent / n-butyllithium / hexane; tetrahydrofuran / -5 °C

2: 62.4 percent / 3 N H₂SO₄ / H₂O / 16 h / Heating

3: pyridine / 0 °C

4: aq. NaOH / methanol

5: 85.5 percent / hydrogen, 1N HCl / 10percent Pd-C / H₂O; methanol / 20 h / 40 °C

With pyridine; hydrogenchloride; sodium hydroxide; n-butyllithium; sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; water;

DOI:10.1248/cpb.33.1129

upstream raw materials:

1'-benzyl-6-chlorospiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one

1-phenylmethyl-4-piperidone

N-(4-chlorophenyl)-2,2-dimethylpropionamide

1-benzyl-4-hydroxy-4-(2-amino-5-chlorophenyl)piperidine

Downstream raw materials:

C₂₈H₂₈N₂O₄

C₂₄H₂₈N₂O₆

1'-(3,4-dimethoxybenzoylmethyl)spiro<4H-3,1-benzoxazine-4,4'-piperidin>-2(1H)-one

C₂₁H₂₂N₂O₅

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