4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-

Base Information

• Chemical Name: 4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-
• CAS No.: 23699-84-5
• Molecular Formula: C₁₉H₂₂N₂O
• Molecular Weight: 294.396
• DSSTox Substance ID: DTXSID30178362
• Nikkaji Number: J69.293J
• Mol file: 23699-84-5.mol

Synonyms:BRN 4850608;23699-84-5;4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-;9,10-Dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-4H-benzo(5,6)cyclohept(1,2-d)oxazole;9,10-Dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-4H-benzo[5,6]cyclohept[1,2-d]oxazole;SCHEMBL9041044;DTXSID30178362;LS-33965

Chemical Property of 4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-

Chemical Property:

• Vapor Pressure: 8.53E-08mmHg at 25°C
• Boiling Point: 435.8°Cat760mmHg
• Flash Point: 217.3°C
• PSA: 29.27000
• Density: 1.147g/cm³
• LogP: 3.54700
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 294.173213330
• Heavy Atom Count: 22
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)CCC3=CC=CC=C3C2=C4CCN(CC4)C

Technology Process of 4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-

There total 2 articles about 4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)- 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:

8,9-dihydro-7H-benzocycloheptene-5,6-dione 6-oxime (21413-70-7) → 2-methyl-4-(1-methyl-piperidin-4-ylidene)-9,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-d]oxazole (23699-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; acetic anhydride / 1 h / 85 °C

2: (i) Mg, THF, (ii) /BRN= 747190/, (iii) HCl, AcOH, Ac₂O

In acetic anhydride; acetic acid;

DOI:10.1021/jm00258a018

Reference yield:

4-chloro-1-methylpiperidine (5570-77-4) + 2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one (21413-71-8) → 2-methyl-4-(1-methyl-piperidin-4-ylidene)-9,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-d]oxazole (23699-84-5)

Guidance literature:

Multistep reaction; (i) Mg, THF, (ii) /BRN= 747190/, (iii) HCl, AcOH, Ac₂O;

DOI:10.1021/jm00258a018

upstream raw materials:

4-chloro-1-methylpiperidine

2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one

8,9-dihydro-7H-benzocycloheptene-5,6-dione 6-oxime

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