CID 14025514

Base Information

• Chemical Name: CID 14025514
• CAS No.: 112399-51-6
• Molecular Formula: C7H4Br3F
• Molecular Weight: 346.819
• European Community (EC) Number: 601-183-5
• DSSTox Substance ID: DTXSID901269393
• Mol file: 112399-51-6.mol

Synonyms:112399-51-6;DTXSID901269393;1-BROMO-2-(DIBROMOMETHYL)-4-FLUOROBENZENE

Chemical Property of CID 14025514

Chemical Property:

• Vapor Pressure: 0.00444mmHg at 25°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 345.78267
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(Br)Br)Br

Technology Process of CID 14025514

There total 2 articles about CID 14025514 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%

2-Bromo-5-fluorotoluene (452-63-1) → 2-bromo-5-fluorobenzal bromide (112399-51-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux;

DOI:10.1039/c4ra02312a

Reference yield:

2-Bromo-5-fluorotoluene (452-63-1) → 2-bromo-5-fluorobenzyl bromide (112399-50-5) + 2-bromo-5-fluorobenzal bromide (112399-51-6)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 3h; Heating; Irradiation;

DOI:10.1021/jm00398a023

Reference yield: 89.0%

2-amino-4-bromobenzamide (112253-70-0) + 2-bromo-5-fluorobenzal bromide (112399-51-6) → 7-bromo-2-(2-bromo-5-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one

Guidance literature:

With pyridine; potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

DOI:10.1039/c4ra02312a

upstream raw materials:

2-Bromo-5-fluorotoluene

Refernces

• 1、 Carson,Almond,Brannan,Carmosin,Flaim,Gill,Gleason,Keely,Ludovici,Pitis,Rebarchak,Villani. "2-Ethynylbenzenealkanamines. A new class of calcium entry blockers". . p. 630 - 636. Retrieved 2007/10/02.