N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine

Base Information

• Chemical Name: N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine
• CAS No.: 109632-71-5
• Molecular Formula: C₁₃H₁₅NO₂
• Molecular Weight: 217.268
• DSSTox Substance ID: DTXSID10565059
• Mol file: 109632-71-5.mol

Synonyms:109632-71-5;N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine;DTXSID10565059

Chemical Property of N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)OC(=NC3=CC=CC=C3)O2

Technology Process of N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine

There total 1 articles about N-Phenylhexahydro-2H-1,3-benzodioxol-2-imine 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: 23.0%

cyclohexane-1,2-epoxide (286-20-4) + phenyl isocyanate (103-71-9) → 4,5-(hexahydrobenzo)-3-phenyl-1,3-oxazolidin-2-one (100371-98-0) + 4,5-tetramethylene-2-phenylimino-1,3-dioxolane (109632-71-5)

Guidance literature:

Ph₄SbI-ZnI₂; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 80 ℃; for 2h; Product distribution; effect of various additives to Ph₄SbI, various oxiranes, isocyanates;

DOI:10.1246/cl.1986.1963

Reference yield:

trans-4,5-tetramethylene-2-(phenylimino)-1,3-dioxolane (109632-71-5,133192-33-3,133192-35-5) + 2,3-trans-epoxybutane (21490-63-1) → cis-4,5-dimethyl-3-phenyl-1,3-oxazolidin-2-one (41594-17-6,41594-19-8)

Guidance literature:

dimethyltin diiodide; In benzene; at 80 ℃; for 24h;

DOI:10.1021/jo00008a021

Reference yield:

cyclohexane-1,2-epoxide (286-20-4) + trans-4,5-tetramethylene-2-(phenylimino)-1,3-dioxolane (109632-71-5,133192-33-3,133192-35-5) → trans-4,5-tetramethylene-3-phenyl-1,3-oxazolidin-2-one (100371-98-0,133192-31-1)

Guidance literature:

aluminium trichloride; In benzene; for 1h; Ambient temperature;

DOI:10.1021/jo00008a021

upstream raw materials:

cyclohexane-1,2-epoxide

phenyl isocyanate

Downstream raw materials:

trans-4,5-tetramethylene-3-phenyl-1,3-oxazolidin-2-one

cis-4,5-dimethyl-3-phenyl-1,3-oxazolidin-2-one