CID 11984636

Base Information

• Chemical Name: CID 11984636
• CAS No.: 1293-65-8
• Molecular Formula: C10H8 Br2 Fe
• Molecular Weight: 343.829
• Hs Code.: 29319090
• Mol file: 1293-65-8.mol

Synonyms:SCHEMBL497210;SCHEMBL7134903;NSC 176201

Chemical Property of CID 11984636

Chemical Property:

• Melting Point: 50-51°C
• Boiling Point: 117.3°Cat760mmHg
• Flash Point: 25.6°C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.91290
• Storage Temp.: Refrigerator
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 343.83216
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

1,1'-Dibromoferrocene >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [CH-]1[CH-][CH-][C-]([CH-]1)Br.C1=C[C-](C=C1)Br.[Fe]

Technology Process of CID 11984636

There total 7 articles about CID 11984636 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: 89.0%

ferrocene (102-54-5,55404-68-7) → 1,1'-dibromoferrocene (1293-65-8)

Guidance literature:

ferrocene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at 20 ℃; Inert atmosphere;

With 1,2-dibromo-1,1,2,2-tetrachloroethane; In tetrahydrofuran; dichloromethane; at -78 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/chem.201201499

Reference yield: 71.0%

1,1,2,2-tetrabromoethane (79-27-6) + 1,1'-dilithioferrocene N,N,N'N'-tetramethylethylenediamine → 1,1'-dibromoferrocene (1293-65-8)

Guidance literature:

With H₂O; In diethyl ether; 1,1,2,2-tetrabromoethane in Et2O was added slowly to suspn. FcLi2(TMEDA) in Et2O at -60°C, soln. was allowed to warm to room temp., stired for 10 h and hydrolyzed with H2O and stired for 10 min; organic layer was separated and evapd., residue was extd. with Et2O andfiltered, solvent was removed and residue was crystd. from MeOH;

DOI:10.1021/om0004085

Reference yield: 67.0%

1,1,2,2-tetrabromoethane (79-27-6) + ferrocene (102-54-5,55404-68-7) → 1,1'-dibromoferrocene (1293-65-8)

Guidance literature:

ferrocene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; Inert atmosphere;

1,1,2,2-tetrabromoethane; In diethyl ether; hexane; at -78 ℃; for 4h;

DOI:10.1039/c2dt32779a

upstream raw materials:

1,1,2,2-tetrabromoethane

ferrocene

(bromocyclopentadienyl)thallium

1,1'-dilithioferrocene

Downstream raw materials:

Fe(C₅H₄N(C₆H₅)2)2

1-bromo-1'-bis(4-methoxyphenyl)phosphinoferrocene

1-bromo-1'-bis(4-trifluoromethylphenyl)phosphinoferrocene

1′-(diphenylphosphino)-1-bromoferrocene