2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol

Base Information

Chemical Name:2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol
CAS No.:100448-10-0
Molecular Formula:C₁₅H₁₉NO₂
Molecular Weight:245.321
Hs Code.:
DSSTox Substance ID:DTXSID80905509
Mol file:100448-10-0.mol

Synonyms:1,3,4,5,6,11a-hexahydro-2-methyl-2H-3,6a-methanobenzofuro(2,3-c)azocin-10-ol;H-2-MMBFAO

Suppliers and Price of 2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of 2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol

Chemical Property:

Vapor Pressure:1.16E-06mmHg at 25°C
Boiling Point:390.6°Cat760mmHg
Flash Point:190.1°C
PSA：32.70000
Density:1.27g/cm³
LogP:2.21690
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:245.141578849
Heavy Atom Count:18
Complexity:347

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC2C3(CCCC1C3)C4=C(O2)C(=CC=C4)O

Technology Process of 2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol

There total 27 articles about 2-methyl-1,3,4,5,6,11a-hexahydro-2H-3,6a-methano[1]benzofuro[2,3-c]azocin-10-ol 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: 85.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: (3R*,6aS*,11aR*)-1,3,4,5,6,11a-hexahydro-2H-3,6a-methanobenzofuro[2,3-c]azocin-10-ol

: 100448-10-0
(+/-)-(3α,6aα,11aβ)-1,3,4,5,6,11-hexahydro-2-methyl-2H-3,6a-methanobenzo<2,3-c>azocin-10-ol

Guidance literature:: With Escat 103; hydrogen; In methanol; at 20 ℃; for 4h;
DOI:10.1021/jm800913d

Reference yield:

: 100448-08-6
(+/-)-2-methyl-4-bromo-5-(2,3-dihydroxyphenyl)-2-azabicyclo<3.3.1>nonane hydrobromide

: 100448-10-0
(+/-)-(3α,6aα,11aβ)-1,3,4,5,6,11-hexahydro-2-methyl-2H-3,6a-methanobenzo<2,3-c>azocin-10-ol

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1021/jm00155a026

Reference yield:

: 100448-07-5
(+/-)-2-methyl-4-bromo-5-(2,3-dimethoxyphenyl)-2-azabicyclo<3.3.1>nonane hydrobromide

: 100448-10-0
(+/-)-(3α,6aα,11aβ)-1,3,4,5,6,11-hexahydro-2-methyl-2H-3,6a-methanobenzo<2,3-c>azocin-10-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) BBr₃, 2.) MeOH / 1.) CHCl₃, 20 deg C, 45 min, 2.) CHCl₃

2: potassium tert-butoxide / tetrahydrofuran / 0.5 h / 20 °C

With methanol; potassium tert-butylate; boron tribromide; In tetrahydrofuran;
DOI:10.1021/jm00155a026