(5-Bromo-2-fluorophenyl)(cyclopropyl)methanone

Base Information

• Chemical Name: (5-Bromo-2-fluorophenyl)(cyclopropyl)methanone
• CAS No.: 1222368-75-3
• Molecular Formula: C₁₀H₈BrFO
• Molecular Weight: 243.075
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80695599
• Wikidata: Q82624837
• Mol file: 1222368-75-3.mol

Synonyms:1222368-75-3;(5-Bromo-2-fluorophenyl)(cyclopropyl)methanone;4-BROMO-2-(CYCLOPROPYLCARBONYL)-1-FLUOROBENZENE;(5-bromo-2-fluorophenyl)-cyclopropylmethanone;MFCD18783211;SCHEMBL1173693;DTXSID80695599;FTLUBYFIQSKOKG-UHFFFAOYSA-N;XYB36875;AKOS015888471;AS-36083;SY280379;CS-0155405;(5-Bromo-2-fluoro-phenyl)-cyclopropyl-methanone;A891168

Chemical Property of (5-Bromo-2-fluorophenyl)(cyclopropyl)methanone

Chemical Property:

• PSA: 17.07000
• LogP: 3.18090
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.97426
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-(cyclopropylcarbonyl)-1-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=C(C=CC(=C2)Br)F

Technology Process of (5-Bromo-2-fluorophenyl)(cyclopropyl)methanone

There total 4 articles about (5-Bromo-2-fluorophenyl)(cyclopropyl)methanone 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: 97.0%

(5-bromo-2-fluorophenyl)(cyclopropyl)methanol → (5-bromo-2-fluorophenyl)(cyclopropyl)methanone (1222368-75-3)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 40 ℃; for 5h;

Reference yield: 49.37%

cyclopropylmagnesium bromide (23719-80-4) + 5-Bromo-2-fluoro-benzonitrile (179897-89-3) → (5-bromo-2-fluorophenyl)(cyclopropyl)methanone (1222368-75-3)

Guidance literature:

cyclopropylmagnesium bromide; 5-Bromo-2-fluoro-benzonitrile; In tetrahydrofuran; at -78 - 25 ℃; for 2.5h; Inert atmosphere;

With hydrogenchloride; water; for 6h;

Reference yield:

5-bromo-2-fluorobenzaldehyde (93777-26-5) → (5-bromo-2-fluorophenyl)(cyclopropyl)methanone (1222368-75-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 1 h / 0 °C

2: manganese(IV) oxide / dioxane / 4 h / Heating

With manganese(IV) oxide; In 1,4-dioxane; diethyl ether;

DOI:10.1016/j.bmc.2006.06.047

upstream raw materials:

5-bromo-2-fluorobenzaldehyde

cyclopropylmagnesium bromide

5-Bromo-2-fluoro-benzonitrile

Downstream raw materials:

5-bromo-3-cyclopropyl-1H-indazole

5-bromo-3-cyclopropyl-1-methyl-1H-indazole

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS AND USES THEREOF". Page/Page column 119. . Retrieved 2016/05/02.
• 2、 -. "3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES". Page/Page column 75. . Retrieved 2011/04/13.