10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene

Base Information

• Chemical Name: 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene
• CAS No.: 84605-00-5
• Molecular Formula: C20H6 Br Cl12 N O2
• Molecular Weight: 797.613
• European Community (EC) Number: 283-386-5
• NSC Number: 270727
• DSSTox Substance ID: DTXSID601004902
• Nikkaji Number: J333.535F
• Mol file: 84605-00-5.mol

Synonyms:84605-00-5;10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene;EINECS 283-386-5;NSC270727;10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-11-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene;C20H6BrCl12NO2;DTXSID601004902;C20-H6-Br-Cl12-N-O2;NSC 270727;NSC-270727;10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene

Chemical Property of 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene

Chemical Property:

• Vapor Pressure: 1.26E-15mmHg at 25°C
• Boiling Point: 641°C at 760 mmHg
• Flash Point: 341.5°C
• PSA: 45.82000
• Density: 2.12g/cm³
• LogP: 10.98470
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 796.57557
• Heavy Atom Count: 36
• Complexity: 1190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C3C(C4C(C2=CC(=C1[N+](=O)[O-])Br)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene

There total 1 articles about 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene 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:

10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4;5,8-dimethanotriphenylene (80789-65-7) → 10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene (84605-00-5)

Guidance literature:

With sulfuric acid; nitric acid; In sulfuryl dichloride;

DOI:10.1021/jo01054a074

Reference yield: 84.0%

10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene (84605-00-5) → 2-bromo-3-nitronaphthalene (67116-33-0)

Guidance literature:

at 220 ℃; under 0.05 - 0.1 Torr;

Reference yield:

10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene (84605-00-5) → 3-bromonaphthalen-2-amine (54245-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / 220 °C / 0.05 - 0.1 Torr

2: 96 percent / H₂ / Raney Ni / ethyl acetate / Ambient temperature

With hydrogen; nickel; In ethyl acetate;

upstream raw materials:

10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4;5,8-dimethanotriphenylene

Downstream raw materials:

2-bromo-3-nitronaphthalene

3-bromonaphthalen-2-amine