Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide

Base Information

• Chemical Name: Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide
• CAS No.: 126807-03-2
• Molecular Formula: BrH*C₁₈H₂₇NO₂
• Molecular Weight: 370.33
• DSSTox Substance ID: DTXSID10925710
• Mol file: 126807-03-2.mol

Synonyms:Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide;126807-03-2;2H-1,4-Benzoxazine, octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-, hydrobromide;DTXSID10925710;LS-41780;4-Methyl-2-phenyl-2-[(propan-2-yl)oxy]octahydro-2H-1,4-benzoxazine--hydrogen bromide (1/1)

Chemical Property of Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide

Chemical Property:

• Vapor Pressure: 4.34E-06mmHg at 25°C
• Boiling Point: 383.6°Cat760mmHg
• Flash Point: 117.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 369.13034
• Heavy Atom Count: 22
• Complexity: 340

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1(CN(C2CCCCC2O1)C)C3=CC=CC=C3.Br

Technology Process of Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide

There total 3 articles about Octahydro-4-methyl-2-(1-methylethoxy)-2-phenyl-2H-1,4-benzoxazine hydrobromide 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: 75.0%

(4aR,8aR)-4-Methyl-2-phenyl-octahydro-benzo[1,4]oxazin-2-ol; hydrochloride (126807-01-0) + isopropyl alcohol (67-63-0,8013-70-5) → (4aR,8aR)-2-Isopropoxy-4-methyl-2-phenyl-octahydro-benzo[1,4]oxazine; hydrobromide (126807-03-2)

Guidance literature:

With acid; Heating;

DOI:10.1002/ardp.19903230114

Reference yield:

2-(methylamino)cyclohexanol (92344-45-1) → (4aR,8aR)-2-Isopropoxy-4-methyl-2-phenyl-octahydro-benzo[1,4]oxazine; hydrobromide (126807-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 34 percent / diethyl ether

2: 75 percent / acid / Heating

With acid; In diethyl ether;

DOI:10.1002/ardp.19903230114

Reference yield:

α-bromoacetophenone (70-11-1) → (4aR,8aR)-2-Isopropoxy-4-methyl-2-phenyl-octahydro-benzo[1,4]oxazine; hydrobromide (126807-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 34 percent / diethyl ether

2: 75 percent / acid / Heating

With acid; In diethyl ether;

DOI:10.1002/ardp.19903230114

upstream raw materials:

(4aR,8aR)-4-Methyl-2-phenyl-octahydro-benzo[1,4]oxazin-2-ol; hydrochloride

isopropyl alcohol

2-(methylamino)cyclohexanol

α-bromoacetophenone