3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

Base Information

• Chemical Name: 3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane
• CAS No.: 725715-12-8
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• DSSTox Substance ID: DTXSID301234861
• Nikkaji Number: J2.563.314H
• Mol file: 725715-12-8.mol

Synonyms:3-benzyl-7-oxa-3-azabicyclo[4.1.0]heptane;725715-12-8;1-Benzyl-3,4-epoxypiperidine;3-benzyl-7-oxa-3-aza-bicyclo[4.1.0]heptane;3-(Phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane;MFCD18785747;SCHEMBL2180441;DTXSID301234861;AM101196;BS-42892;SY272239;CS-0183212;FT-0690179;A23050;3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

Chemical Property of 3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

Chemical Property:

• PSA: 15.77000
• LogP: 1.59760
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2C1O2)CC3=CC=CC=C3

Technology Process of 3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

There total 8 articles about 3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane 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: 90.0%

1-benzyl-1,2,3,6-tetrahydropyridine (40240-12-8) → 3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane (725715-12-8)

Guidance literature:

1-benzyl-1,2,3,6-tetrahydropyridine; With water; trifluoroacetic acid; at 20 ℃; for 0.166667h;

With N-chloro-succinimide; In water; at 20 - 45 ℃;

With sodium hydroxide; In water; toluene; at 12 - 40 ℃; for 6h;

Reference yield:

pyridine (110-86-1) → 3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane (725715-12-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 25 h / 22 - 130 °C

2.1: sodium tetrahydroborate / ethanol / 20 h / 0 - 20 °C

3.1: trifluoroacetic acid / dichloromethane / 0 - 5 °C

3.2: 0.42 h / 0 - 6 °C

3.3: -15 - 10 °C

With sodium tetrahydroborate; trifluoroacetic acid; In ethanol; dichloromethane;

DOI:10.1016/j.tet.2011.03.045

Reference yield:

benzyl chloride (100-44-7) → 3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane (725715-12-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 25 h / 22 - 130 °C

2.1: sodium tetrahydroborate / ethanol / 20 h / 0 - 20 °C

3.1: trifluoroacetic acid / dichloromethane / 0 - 5 °C

3.2: 0.42 h / 0 - 6 °C

3.3: -15 - 10 °C

With sodium tetrahydroborate; trifluoroacetic acid; In ethanol; dichloromethane;

DOI:10.1016/j.tet.2011.03.045

upstream raw materials:

1-benzyl-1,2,3,6-tetrahydropyridine

pyridine

N-benzylpyridinium chloride

benzyl chloride

Downstream raw materials:

trans-3,4-dihydroxypiperidine

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