1-Cyclopropyl-4-fluorobenzene

Base Information

• Chemical Name: 1-Cyclopropyl-4-fluorobenzene
• CAS No.: 18511-60-9
• Molecular Formula: C9H9F
• Molecular Weight: 136.169
• DSSTox Substance ID: DTXSID00571583
• Nikkaji Number: J2.589.768D
• Wikidata: Q82459711
• Mol file: 18511-60-9.mol

Synonyms:1-CYCLOPROPYL-4-FLUOROBENZENE;18511-60-9;C9H9F;MFCD15527174;1-Cyclopropyl-4-fluoro-benzene;SCHEMBL1066184;DTXSID00571583;AC9033;AKOS015888552;BS-27479;SY263851;CS-0208988

Chemical Property of 1-Cyclopropyl-4-fluorobenzene

Chemical Property:

• PSA: 0.00000
• LogP: 2.70310
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.068828449
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

1-Cyclopropyl-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=CC=C(C=C2)F

Technology Process of 1-Cyclopropyl-4-fluorobenzene

There total 4 articles about 1-Cyclopropyl-4-fluorobenzene 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: 71.0%

C21H13F4S2(1+)*BF4(1-) → 4-fluoro-1-cyclopropyl-benzene (18511-60-9)

Guidance literature:

With tetrakis(acetonitrile)copper(I)tetrafluoroborate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; cesium fluoride; In acetone; at 30 ℃; for 20h; Inert atmosphere; Irradiation;

DOI:10.1038/s41557-019-0353-3

Reference yield:

1-Bromo-4-fluorobenzene (460-00-4) + cyclopropylboronic acid (411235-57-9) → 4-fluoro-1-cyclopropyl-benzene (18511-60-9)

Guidance literature:

With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In water; toluene; at 100 ℃; Inert atmosphere;

DOI:10.1021/jacs.6b02838

Reference yield:

para-fluorostyrene (405-99-2) + diiodomethane (75-11-6) → 4-fluoro-1-cyclopropyl-benzene (18511-60-9)

Guidance literature:

With diethylzinc; In benzene; at 80 ℃;

DOI:10.1016/S0040-4020(01)98044-5

upstream raw materials:

para-fluorostyrene

diiodomethane

tetramethylammonium trifluoromethanesulphonate

1-Bromo-4-fluorobenzene

Downstream raw materials:

1-(4-fluorophenyl)-1,3-propanediol