(2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

Base Information

Chemical Name:(2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
CAS No.:895155-78-9
Molecular Formula:C₂₀H₂₄F₃NO
Molecular Weight:351.412
Hs Code.:
UNII:EG79K9XQF5
ChEMBL ID:CHEMBL569082
DSSTox Substance ID:DTXSID201024738
Nikkaji Number:J3.451.124A
Pharos Ligand ID:8RBP8R3SSH2V
Wikipedia:XLR-12
Mol file:895155-78-9.mol

Synonyms:895155-78-9;Xlr-12;(2,2,3,3-tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone;EG79K9XQF5;UNII-EG79K9XQF5;CHEMBL569082;(2,2,3,3-Tetramethylcyclopropyl)(1-(4,4,4-trifluorobutyl)-1H-indol-3-yl)methanone;(2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]-methanone;Methanone, (2,2,3,3-tetramethylcyclopropyl)(1-(4,4,4-trifluorobutyl)-1H-indol-3-yl)-;(2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1h-indol-3-yl]methanone;XLR12;SCHEMBL2077007;PEXYKZYTXIEEOB-UHFFFAOYSA-N;DTXSID201024738;BDBM50303527;NS00017662;(2,2,3,3-Tetramethylcyclopropyl)(1-(4,4,4-trifluorobutyl)-1Hindol-3-yl)methanone

Suppliers and Price of (2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

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

Chemtos
XLR-12(TrifluoroUR-144)0.1mg/ml
1ml of 0.1 mg
$ 90.00

Cayman Chemical
XLR12 ≥98%
1mg
$ 71.00

Cayman Chemical
XLR12 ≥98%
5mg
$ 317.00

Cayman Chemical
XLR12 ≥98%
10mg
$ 562.00

AK Scientific
(2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
10mg
$ 802.00

AK Scientific
(2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
5mg
$ 495.00

AK Scientific
(2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone
1mg
$ 187.00

Total 20 raw suppliers

Chemical Property of (2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

Chemical Property:

PSA：22.00000
LogP:5.84870
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:351.18099888
Heavy Atom Count:25
Complexity:512

Purity/Quality:

99% ^*data from raw suppliers

XLR-12(TrifluoroUR-144)0.1mg/ml ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC(F)(F)F)C
Description XLR11 is a 5-fluoropentyl analog of UR-144 . Both XLR11 and UR-144 are synthetic cannabinoids which have been detected in herbal blends. XLR12 is a trifluorobutyl analog of XLR11. Its physiological and toxicological properties are unknown. This product is intended for forensic and research applications.
Uses XLR11 is a 5-fluoropentyl analog of UR-144 . Both XLR11 and UR-144 are synthetic cannabinoids which have been detected in herbal blends. XLR12 is a trifluorobutyl analog of XLR11. Its physiological and toxicological properties are unknown. This product is intended for forensic and research applications.[Cayman Chemical]

Technology Process of (2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]methanone

There total 4 articles about (2,2,3,3-Tetramethylcyclopropyl)-[1-(4,4,4-trifluorobutyl)indol-3-yl]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: 86.0%

: 895155-78-9
(2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone

Guidance literature:

Reference yield:

: 164523-19-7
4,4,4-trifluorobutyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 895155-78-9
(2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone

Guidance literature:: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

4,4,4-trifluorobutyl methanesulfonate; In N,N-dimethyl-formamide; mineral oil; at 0 - 45 ℃;
DOI:10.1021/jm901214q

Reference yield:

: 15641-58-4
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

: 895155-78-9
(2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone

Guidance literature:: Multi-step reaction with 3 steps

1.1: thionyl chloride / 2 h / Reflux

2.1: ethylmagnesium bromide / tetrahydrofuran; dichloromethane / 21 °C

2.2: 0.5 h

2.3: 6 h / 21 °C

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

3.2: 0 - 45 °C

With thionyl chloride; ethylmagnesium bromide; sodium hydride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; mineral oil;
DOI:10.1021/jm901214q