3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine

Base Information

• Chemical Name: 3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
• CAS No.: 6638-11-5
• Molecular Formula: C14H19NO
• Molecular Weight: 217.3068
• NSC Number: 47909
• DSSTox Substance ID: DTXSID50985015
• Nikkaji Number: J122.159K
• ChEMBL ID: CHEMBL1094603
• Mol file: 6638-11-5.mol

Synonyms:3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine;6638-11-5;3-cyclohexyl-2,4-dihydro-1,3-benzoxazine;NSC47909;SCHEMBL6306131;CHEMBL1094603;DTXSID50985015;NSC-47909;2H-1, 3-cyclohexyl-3,4-dihydro-

Chemical Property of 3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine

Chemical Property:

• Vapor Pressure: 0.000326mmHg at 25°C
• Boiling Point: 320°Cat760mmHg
• Flash Point: 94.5°C
• PSA: 12.47000
• Density: 1.094g/cm³
• LogP: 3.10910
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2CC3=CC=CC=C3OC2

Technology Process of 3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine

There total 4 articles about 3-Cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine 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: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexylamine (108-91-8,157973-60-9) + phenol (108-95-2,27073-41-2) → 3-cyclohexyl-3,4-dihydro-2H-benz[e][1,3]oxazine (6638-11-5)

Guidance literature:

In water; at 25 ℃;

DOI:10.1002/jhet.147

Reference yield: 66.0%

1-(bromomethyl)-2-(chloromethoxy)benzene (344294-39-9) + cyclohexylamine (108-91-8,157973-60-9) → 3-cyclohexyl-3,4-dihydro-2H-benz[e][1,3]oxazine (6638-11-5)

Guidance literature:

In benzene; at 20 ℃; for 48h;

DOI:10.1016/S0040-4039(00)88715-8

Reference yield:

1-(chloromethoxy)-2-methylbenzene (83142-61-4) → 3-cyclohexyl-3,4-dihydro-2H-benz[e][1,3]oxazine (6638-11-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NBS / Bz₂O₂ / CCl₄ / 6 h / Heating

2: 66 percent / benzene / 48 h / 20 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; benzene;

DOI:10.1016/S0040-4039(00)88715-8

upstream raw materials:

1-(bromomethyl)-2-(chloromethoxy)benzene

cyclohexylamine

1-(chloromethoxy)-2-methylbenzene

formaldehyd