1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

Base Information

Chemical Name:1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole
CAS No.:175136-60-4
Molecular Formula:C12H7F6N
Molecular Weight:279.18
Hs Code.:2933998090
DSSTox Substance ID:DTXSID00371186
Wikidata:Q82158448
Mol file:175136-60-4.mol

Synonyms:1-[3,5-bis(trifluoromethyl)phenyl]pyrrole;175136-60-4;1-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrrole;1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole;C12H7F6N;CDS1_000532;Maybridge1_002820;DivK1c_001572;HMS549I04;DTXSID00371186;BKSCRBOUGNMEKQ-UHFFFAOYSA-N;AMY25596;BBL020932;MFCD00053048;STK893638;AKOS001476540;CCG-243686;FS-3974;SB62109;CS-0324179;FT-0607118;A811756;1H-Pyrrole, 1-[3,5-bis(trifluoromethyl)phenyl]-;J-011066

Suppliers and Price of 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-[3,5-bis(Trifluoromethyl)phenyl]-1H-pyrrole
100mg
$ 45.00

SynQuest Laboratories
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%
1 g
$ 32.00

SynQuest Laboratories
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%
5 g
$ 112.00

Matrix Scientific
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole
5g
$ 92.00

Matrix Scientific
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole
1g
$ 23.00

Crysdot
1-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrrole 97%
100g
$ 616.00

Chemenu
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%
100g
$ 582.00

Apolloscientific
1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole 97%
1g
$ 20.00

Apolloscientific
1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole 97%
5g
$ 70.00

American Custom Chemicals Corporation
1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE 95.00%
1G
$ 606.61

Total 25 raw suppliers

Chemical Property of 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

Chemical Property:

Vapor Pressure:0.0637mmHg at 25°C
Melting Point:43 °C
Refractive Index:1.46
Boiling Point:238.9 °C at 760 mmHg
Flash Point:98.3 °C
PSA：4.93000
Density:1.34 g/cm³
LogP:4.51490
Storage Temp.:2-8°C
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:279.04826820
Heavy Atom Count:19
Complexity:282

Purity/Quality:

97% ^*data from raw suppliers

1-[3,5-bis(Trifluoromethyl)phenyl]-1H-pyrrole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Technology Process of 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

There total 2 articles about 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 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: 65.0%

: 109-97-7,30604-81-0
pyrrole

: 328-70-1
3,6-bis(trifluoromethyl)bromobenzene

: 175136-60-4
1-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole

Guidance literature:: With methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); potassium carbonate; XPhos; at 110 ℃; for 24h; Inert atmosphere; Glovebox;
DOI:10.1021/acs.organomet.1c00517

Reference yield:

: 109-97-7,30604-81-0
pyrrole

: 328-73-4
3,5-bis(trifluoromethyl)iodobenzene

: 175136-60-4
1-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole

Guidance literature:: With copper(l) iodide; potassium tert-butylate; In dimethyl sulfoxide; at 110 ℃; for 16h; Inert atmosphere; Schlenk technique;
DOI:10.1002/chem.201503687

Reference yield:

: 175136-60-4
1-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole

: (2,5-bis(trimethylsilyl)ethynyl-1H-pyrrol-1-yl)-3,5-bis(trifluoromethyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: N-iodo-succinimide / N,N-dimethyl-formamide / 0 °C / Inert atmosphere; Schlenk technique

2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine / 12 h / 50 °C / Inert atmosphere; Schlenk technique

With bis-triphenylphosphine-palladium(II) chloride; N-iodo-succinimide; copper(l) iodide; triphenylphosphine; In N,N-dimethyl-formamide; 2: |Sonogashira Cross-Coupling;
DOI:10.1002/chem.201503687