9,10-Bis(bromomethyl)phenanthrene

Base Information

• Chemical Name: 9,10-Bis(bromomethyl)phenanthrene
• CAS No.: 57743-47-2
• Molecular Formula: C16H12Br2
• Molecular Weight: 364.07400
• Hs Code.: 2903999090
• European Community (EC) Number: 651-330-2
• DSSTox Substance ID: DTXSID40405358
• Nikkaji Number: J574.785F
• Wikidata: Q82209863
• Mol file: 57743-47-2.mol

Synonyms:9,10-bis(bromomethyl)phenanthrene;57743-47-2;9,10-bis-bromomethyl-phenanthrene;Phenanthrene, 9,10-bis(bromomethyl)-;SCHEMBL11826109;DTXSID40405358;AQWDNOHHPXNCAB-UHFFFAOYSA-N

Chemical Property of 9,10-Bis(bromomethyl)phenanthrene

Chemical Property:

• PSA: 0.00000
• LogP: 5.78280
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 363.92853
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

9,10-BIS(BROMOMETHYL)PHENANTHRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2CBr)CBr

Technology Process of 9,10-Bis(bromomethyl)phenanthrene

There total 12 articles about 9,10-Bis(bromomethyl)phenanthrene 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: 77.0%

9,10-dimethylphenanthrene (604-83-1) → 9,10-Bis(bromomethyl)phenanthrene (57743-47-2)

Guidance literature:

With bromine; In tetrachloromethane; for 5.5h; Heating; Irradiation;

Reference yield: 73.0%

phenanthrene-9,10-diyldimethanol (101110-13-8) → 9,10-Bis(bromomethyl)phenanthrene (57743-47-2)

Guidance literature:

With phosphorus tribromide; In toluene; at 20 ℃; for 5.5h;

DOI:10.1021/acs.joc.1c01818

Reference yield:

9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol (7251-51-6) → 9,10-Bis(bromomethyl)phenanthrene (57743-47-2)

Guidance literature:

Multistep reaction; (i) PBr₃, Et₂O, (ii) NBS, CCl₄;

upstream raw materials:

9,10-dimethylphenanthrene

9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol

2,2′-bis(ethynyl)-1,1′-biphenyl

2,2'-divinylbiphenyl

Downstream raw materials:

2-Benzyl-2,3-dihydro-1H-dibenzisoindol

2-Benzyl-2H-dibenzisoindol

2-Benzyl-2,3-dihydro-1H-dibenzisoindol-N-oxid

15-Benzyl-9,14-dihydro-10,11,12,13-tetramethyl-9,14-iminobenzotriphenylen