2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 945632-77-9
• Molecular Formula: C₁₈H₂₅BrO
• Molecular Weight: 337.3
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80694769
• Mol file: 945632-77-9.mol

Synonyms:945632-77-9;2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one;2-BROMO-3,4-DIHYDRO-6-OCTYL-1(2H)-NAPHTHALENONE;SCHEMBL2281531;DTXSID80694769;ZBADJFWIUJXHTL-UHFFFAOYSA-N;AMY15108;FD7179;FT-0714376;2-Bromo-6-octyl-3,4-dihydro-2H-naphthalen-1-one;2-bromo-6-octyl-1,2,3,4-tetrahydronaphthalen-1-one;(+/-)-2-bromo-6-octyl-3,4-dihydro-2H-naphthalen-1-one

Chemical Property of 2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• Refractive Index: 1.545
• Boiling Point: 421.8 ºC at 760 mmHg
• Flash Point: 1.2 ºC
• PSA: 17.07000
• Density: 1.209 g/cm³
• LogP: 5.48200
• Storage Temp.: 2-8°C
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 336.10888
• Heavy Atom Count: 20
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC1=CC2=C(C=C1)C(=O)C(CC2)Br

Technology Process of 2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one

There total 3 articles about 2-Bromo-6-octyl-3,4-dihydronaphthalen-1(2H)-one 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: 87.0%

6-octyl-3,4-dihydro-2H-naphthalen-1-one (945632-75-7) → 2-bromo-6-octyl-3,4-dihydro-2H-naphthalen-1-one (945632-77-9)

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; for 2h; Reflux;

DOI:10.1016/j.bmcl.2010.02.006

Reference yield:

6-Hydroxy-1-tetralone (3470-50-6) → 2-bromo-6-octyl-3,4-dihydro-2H-naphthalen-1-one (945632-77-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 2,6-dimethylpyridine / dichloromethane / 1 - 72 h / 0 - 20 °C

2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 °C

2.2: 2 - 3 h / 65 °C

3.1: copper(ll) bromide / chloroform; ethyl acetate / 6 h / Heating / reflux

With 2,6-dimethylpyridine; 9-bora-bicyclo[3.3.1]nonane; copper(ll) bromide; In tetrahydrofuran; dichloromethane; chloroform; ethyl acetate; 2.2: Suzuki Coupling;

Reference yield:

5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate (144464-64-2) → 2-bromo-6-octyl-3,4-dihydro-2H-naphthalen-1-one (945632-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 °C

1.2: 2 - 3 h / 65 °C

2.1: copper(ll) bromide / chloroform; ethyl acetate / 6 h / Heating / reflux

With 9-bora-bicyclo[3.3.1]nonane; copper(ll) bromide; In tetrahydrofuran; chloroform; ethyl acetate; 1.2: Suzuki Coupling;

upstream raw materials:

6-octyl-3,4-dihydro-2H-naphthalen-1-one

6-Hydroxy-1-tetralone

5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate

Downstream raw materials:

2-acetylamino-2-(6-octyl-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl)-malonic acid diethyl ester

2-acetylamino-2-(6-octyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-malonic acid diethyl ester

N-[2-hydroxy-1-hydroxymethyl-1-(6-octyl-1,2,3,4-tetrahydro-naphthalen-2-yl)ethyl]-acetamide

2-amino-2-(6-octyl-1,2,3,4-tetrahydro-naphthalen-2-yl)propane-1,3-diol