630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Asymmetric Synthesis >>Chiral Building BlocksChiral Catalysts, Chiral Ligands and Chiral ReagentsChiral Resolution ReagentsBoronic acids/esters >>Aliphatic BoronsAromatic BoronsOther BoronsOxaborolesCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Carbon LigandsChiral Crown LigandsChiral Olefin LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsChemical Biology >>Conjugation Chemistry
GlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylationPeptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic ReagentOrganic Building Blocks >>Acid AnhydridesAcyl Chlorides
AlcoholsAldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic HydrocarbonsAlkenesAlkylsAlkynesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic Liquids
Solid Supported SynthesisStains and Dyes >>Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen SodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam BesylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC AntibodyADC LinkerADC Linker with PayloadADC ToxinAntibody-Drug Conjugates (ADCs)Drug-Linker Conjugates for ADCAngiogenesis >>ALKBcr-AblBTKEGFRFAKFGFRFLT3HER2HIFAnti-infection >>3CLproAntibacterialAntibioticAntifungal
AntiparasiticAntiprotozoalAntiviralArenavirusBVDVApoptosis >>Apoptosis InducerBcl-2Bcl-6BRKc-Mycc-RETC/EBPCARDCaspaseAutophagy >>Atg4ATG4BATTECsAUTACsAutophagyBeclin1
FKBPLC3LRRK2Biochemical Reagent >>Cell Cycle >>AntifolateAPCAurora KinaseBUBCasein KinaseCdc25CDKChkCRISPR/Cas9Cytoskeleton >>ActinArp2/3 ComplexCYTHCytoplasmic DyneinDynaminFAKMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesCOFs Linkers >>Aldehyde COFs LinkersAlkynyl COFs LinkersAmine COFs LinkersBoric COFs LinkersCyano COFs LinkersMultifunctional COFs linkersOther COFs linkersTriptycene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes
Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>Carboxylic Acid MOF LigandsCarboxylic Acid Nitrogen-Containing Mixed MOF LigandsNitrogen-Containing MOF LigandsOther MOF LigandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>Dopant
HostHTMOLED IntermediatesOther OLED related materialsOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic Pigments >>Organic PigmentOther Materials >>Mateial OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Organic Building Blocks
Aryls
benzyl
N-Methyl-3-(trifluoromethyl)benzylamine
Chemistry
Organic Building Blocks
Aryls
Amines Fluorinated Building Blocks Trifluoromethyls Benzene Compounds
benzyl
N-methyl-1-phenylmethanamine (trifluoromethyl)benzene

[ CAS No. 90390-07-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 90390-07-1
Chemical Structure| 90390-07-1
Chemical Structure| 90390-07-1
Structure of 90390-07-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 90390-07-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 90390-07-1 ]

SDS Specification
Alternatived Products of [ 90390-07-1 ]

Product Details of [ 90390-07-1 ]

CAS No. :90390-07-1 MDL No. :MFCD04115410
Formula : C9H10F3N Boiling Point : -
Linear Structure Formula :- InChI Key :JFLPPELZYKHKQZ-UHFFFAOYSA-N
M.W : 189.18 Pubchem ID :485414
Synonyms :

Calculated chemistry of [ 90390-07-1 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.02
TPSA : 12.03 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.26
Log Po/w (XLOGP3) : 2.49
Log Po/w (WLOGP) : 3.43
Log Po/w (MLOGP) : 2.91
Log Po/w (SILICOS-IT) : 2.85
Consensus Log Po/w : 2.79

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.73
Solubility : 0.356 mg/ml ; 0.00188 mol/l
Class : Soluble
Log S (Ali) : -2.39
Solubility : 0.775 mg/ml ; 0.0041 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.13
Solubility : 0.0141 mg/ml ; 0.0000743 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.32

Safety of [ 90390-07-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501 UN#:2735
Hazard Statements:H314 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 90390-07-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 90390-07-1 ]

[ 90390-07-1 ] Synthesis Path-Downstream   1~32

  • 1
  • [ 17714-06-6 ]
  • [ 90390-07-1 ]
  • [ 76532-18-8 ]
Reference： [1]Journal of Medicinal Chemistry,1981,vol. 24,p. 140 - 145
  • 2
  • [ 90390-07-1 ]
  • C9H9F3N2O [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 40 - 44
  • 3
  • [ 121372-62-1 ]
  • [ 90390-07-1 ]
Reference： [1]Journal of Medicinal Chemistry,1984,vol. 27,p. 1111 - 1118
  • 4
  • [ 454-89-7 ]
  • [ 74-89-5 ]
  • [ 90390-07-1 ]
Reference： [1]Journal of Medicinal Chemistry,1981,vol. 24,p. 140 - 145
  • 5
  • [ 74-89-5 ]
  • [ 402-23-3 ]
  • [ 90390-07-1 ]
Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 40 - 44
  • 6
  • [ 90390-07-1 ]
  • 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate [ No CAS ]
  • 2-(2,4-difluoro-phenyl)-1-[methyl-(3-trifluoromethyl-benzyl)-amino]-3-[1,2,4]triazol-1-yl-propan-2-ol [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 2512 - 2525
  • 7
  • [ 90390-07-1 ]
  • [ 71449-08-6 ]
  • [ 512785-12-5 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 8
  • [ 90390-07-1 ]
  • [ 512785-17-0 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 9
  • [ 90390-07-1 ]
  • <i>N</i>-methyl-3-(3-phenyl-allylideneamino)-<i>N</i>-(3-trifluoromethyl-benzyl)-succinamic acid <i>tert</i>-butyl ester [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 10
  • [ 90390-07-1 ]
  • [ 512785-30-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 11
  • [ 90390-07-1 ]
  • [ 512785-22-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 12
  • [ 90390-07-1 ]
  • [ 512784-94-0 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 2054 - 2080
  • 13
  • [ 454-89-7 ]
  • [ 90390-07-1 ]
Reference： [1]Journal of Medicinal Chemistry,1984,vol. 27,p. 1111 - 1118
  • 15
  • [ 866782-21-0 ]
  • [ 90390-07-1 ]
  • [ 866782-20-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In dichloromethane; at 20℃; for 12h; Example 193; Steps 1-6 are carried out according to example 191. Step 7; ((R)-2-(2-Fluoro-phenyl)-1-[methyl-(3-trifluoromethyl-benzyl)-sulphamoyl]-methyl}- ethyl)-carbamic acid benzvl ester; 30.0 mg (0.08 mmol) of [(R)-1-chlorosulphonylmethyl-2-(2-fluoro-phenyl)-ethyl]- carbamic acid benzyl ester are dissolved in 2 mL of dichloromethane. Then 12. 8 uL (0.09 mmol) of triethylamine and 14.6 mg (0.08 mmol) of N-methyl-N- [3- trifluoromethyl) benzyl] amine are added and the resulting mixture is stirred for 12 h at room temperature : LCMS (la) rt 4.89 min, 539 (M+H)+, 561 (M+Na) +, 602 (M+Na+CH3CN) +.
Reference： [1]Patent: WO2005/95343,2005,A1 .Location in patent: Page/Page column 102
  • 16
  • C24H25ClN4O [ No CAS ]
  • [ 90390-07-1 ]
  • 1-(4-(1-((3-(trifluoromethyl)benzyl)(methyl)amino)ethyl)phenyl)-3-(2-(3,3-dimethylindolin-1-yl)pyridin-3-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 20℃; for 1h; Example 74 1-(4-(1-((3-(trifluoromethyl)benzyl)(methyl)amino)ethyl)phenyl)-3-(2-(3,3-dimethylindolin-1-yl)pyridin-3-yl)urea To 40.2 mg (0.1 mmol) of Example 73 in 1.5 mL of CH2Cl2 was added 177 mg (0.15 mmol) of SOCl2. The solution was stirred for 2 h and concentrated to dryness. 37.9 mg (0.2 mmol) of <strong>[90390-07-1]N-methyl(3-(trifluoromethyl)phenyl)methanamine</strong> were added and the mixture stirred for 1 h at rt. Volatiles were evaporated. 3 mL of CH2Cl2 was added and the mixture was washed twice with 1 mL of water. The organic phase was dried over MgSO4 and concentrated to yield an oily residue purified by preparative HPLC Method B (Shimadzu Phenomenex Luna 5u 21.2*100; flow rate 20 ml/min; detection at 220 nM; Gradient elution 0% to 100% B over 20 min; (A=10% MeOH, 90% H2O, 0.1% TFA & B-90% MeOH, 10% H2O, 0.1% TFA)); to yield Example 74. Characterization of the compound is under progress. Examples 75-79 listed in Table 1 were prepared according to the procedures described in Example 73 or Example 83 and using the appropriated nucleophiles.
Reference： [1]Patent: US2005/261244,2005,A1 .Location in patent: Page/Page column 55-56
  • 17
  • [ 906645-36-1 ]
  • [ 90390-07-1 ]
  • [ 957113-00-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 5567 - 5572
  • 18
  • [ 1224397-13-0 ]
  • [ 90390-07-1 ]
  • [ 1224392-14-6 ]
YieldReaction ConditionsOperation in experiment
67% A solution of 400 mg (1.27 mmol) of intermediate SAAS01 and 216 mg (1.33 mmol) of CDI in THF (13 ml) was stirred for 1 h at RT. A solution of 219 mul (1.27 mmol) of <strong>[90390-07-1]N-methyl-1-(3-(trifluoromethyl)phenyl)methylamine</strong> in THF (13 ml) was then added, and stirring was carried out for a further 16 h at RT. The reaction solution was then washed three times with a sat. aq. NH4Cl sol. and three times with a sat. aq. NaHCO3 sol. The organic phase was dried over MgSO4, filtered and concentrated in vacuo. After CC (EA) of the residue, 416 mg (0.85 mmol, 67%) of illustrative compound 24 were obtained. MS: m/z 482.2 [M+H]+.
Reference： [1]Patent: US2010/105722,2010,A1 .Location in patent: Page/Page column 31
  • 19
  • [ 1202207-09-7 ]
  • [ 90390-07-1 ]
  • [ 1202206-31-2 ]
YieldReaction ConditionsOperation in experiment
63% To a solution of l-(3,5-dichloro-4-hydroxyphenyl)-lH-l ,2,4-triazole-3-carboxylic acid (0.88 g, 3.2 mmol) in DMf ( 12 mL) was added triethylamine (0.96 g, 9.5 mmol), N-(3- dimethylaminopropyl)-./V-ethylcarbodiimide hydrochloride (0.67 g, 3.5 mmol) and 2- hydroxypyridine 1 -oxide (0.38 g, 3.4 mmol). The mixture was stirred at room temperature for 1 h and the volume was then made up to 16 mL by adding more DMF. This solution (1 mL) was added to <strong>[90390-07-1]N-methyl-N-[3-(trifluoromethyl)benzyl]amine</strong> (42 mg, 0.22 mmol) and stirred at 45 0C for 18 h. The mixture was filtered and the filtrate was purified by preparative EtaPLC to give the title compound (44.4 mg, 63%) as a white solid. 1H NuMR delta (ppm)(DMSO- dc): 2.98 and 3.14 (3 H, two s), 4.82 and 4.84 (2 H, two s), 7.62-7.79 (4 H, m), 7.88 and 8.00 (2 H, two s), 9.36 and 9.39 (1 H, two s), 10.72 (1 H, s). LCMS (10cm_ESI_bicarb) Rt 2.33 min; m/z 445/446/447 [M+H.]".
Reference： [1]Patent: WO2010/33626,2010,A1 .Location in patent: Page/Page column 126
  • 20
  • (+/-)-1-(3,4-dichlorophenyl)-3-oxa-bicyclo[3.1.0]hexan-2-one [ No CAS ]
  • [ 90390-07-1 ]
  • C20H18Cl2F3NO2 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 1498 - 1501
  • 21
  • [ 74-89-5 ]
  • [ 705-29-3 ]
  • [ 90390-07-1 ]
YieldReaction ConditionsOperation in experiment
2.19 g In methanol; at 50℃; for 5h; Intermediate 2 methvK-f r3-(tnfluoromethyl)phenyl1 methyl )a mine To a solution of methylamine 2M in MeOH (61.5 mL, 123.3 mmol), MeOH (30 mL) was added . The mixture was heated at 50C under stirring and 3-(trifluoromethyl)benzyl chloride ( 1.6 mL, 10.3 mmol) dissolved in MeOH ( 10 mL) were added . The reaction mixture was stirred at this temperature for 5h . The solvent was removed under vacuo, then NaOH 1 M was added and the aqueous layer was extracted with DCM . The organic layer was filtered through a phase sepa rator and concentrated in vacuo to give 2.19 g of a colourless oil. *H NMR (400 MHz, CDCI3) delta ppm 7.69 (s, 1H), 7.57 (d, 1H), 7.49 (t, 2H), 3.88 (s, 2H), 2.56, (s, 3H). UPLC-MS: Rt=0.39; m/z (ES+): 190 [M + H] + .
Reference： [1]Patent: WO2013/124286,2013,A1 .Location in patent: Page/Page column 61; 62
  • 22
  • [ 32315-10-9 ]
  • 1-(2-methylphenyl)octahydropyrrolo[1,2-a]piperazin-6-one hydrochloride [ No CAS ]
  • [ 90390-07-1 ]
  • N-methyl-1-(2-methylphenyl)-6-oxo-N-[3-(trifluoromethyl)phenyl]methyl}octahydropyrrolo[1,2-a]piperazine-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
130 mg Example 5: Compound 5 N-methyl-l-(2-methylphenyl)-6-oxo-N-- r3-(trifluoromethyl)phenyl1 methyl -Octa hydro pyrrolori,2-a1piperazine-2-carboxamide (enantiomer 1, ANTI stereochemistry at Cl-C8a, single unknown stereoisomer) Triphosgene (27.3 mg, 0.09 mmol) was dissolved in ETOAc (1 mL) at 0 C. A solution of l-(2-methylphenyl)-octahydropyrrolo[l,2-a]piperazin-6-one hydrochloride salt (Intermediate 24, 60 mg, 0.23 mmol) and TEA (110 mL, 0.8 mmol) in EtOAc (2 mL), was added. The reaction mixture was stirred at 0C for 1.5h, then a solution of <strong>[90390-07-1]methyl([3-(trifluoromethyl)phenyl]methyl})amine</strong> (Intermediate 2, 60 mg, 0.32 mmol) and TEA (30 mL) in EtOAc (2 mL), was added. The reaction mixture was stirred 2h at room temperature. Water (20 ml_) was added followed by EtOAc (20 ml_). The organic layer was dried over Na2S04, filtered and evaporated under vacuo to give a yellow oil (130 mg) which was subjected to chiral preparative HPLC. Two fractions were obtained. After evaporation two products were obtained: enantiomer 1 (Compound 5) and enantiomer 2 (Compound 6, see experimental below). Compound 5 (white solid, 26 mg): chiral HPLC, Chiralpak AD-H column (25 x 0.46 cm), 5mu, Mobile phase: n- Hexane/2-Propanol 85/15 v/v, Flow rate: 0.8 mL/min; Detection: DAD at 220 nm. Rt=17.9 min. m/z (ES+): 446.2 [M + H]+ JH NMR (500 MHz, CDCI3) delta ppm 7.47 (d, .7=7.6 Hz, IH), 7.21 (m, 6H), 6.88 (d, J=7.8Hz, IH), 4.60 (d, J=15.4Hz, IH), 4.34 (d, .7=15.2Hz, IH), 4.17 (d, .7=13.0Hz, IH), 4.08 (d, .7=10. OHz, IH), 3.73 (m, IH), 3.34 (d, .7=12.0Hz, IH), 3.13 (m, IH), 2.95 (m, 4H), 2.54 (s, 3H), 2.40 (m, 2H), 1.87 (m, IH), 1.69 (m, IH).
Reference： [1]Patent: WO2013/124286,2013,A1 .Location in patent: Page/Page column 135; 136
  • 23
  • [ 32315-10-9 ]
  • [ 1453069-67-4 ]
  • [ 90390-07-1 ]
  • [ 1453069-72-1 ]
YieldReaction ConditionsOperation in experiment
59% Intermediate 60 f lS.8aSV7.7-diallyl-yv-methyl-6-oxo-l-o-tolyl-yy-f3- To a solution of triphosgene (47 mg, 0.16 mmol) in EtOAc (2 mL) at 0 C was added solution of Intermediate 54 (100 mg, 0.32 mmol), DMAP (4 mg, 0.032 mmol) and TEA (49 mg, 0.48 mmol) in EtOAc (2 mL). The mixture was stirred for 1.5 h, followed by addition of N-methyl-l-(3-(trifluoromethyl)phenyl)methanamine (91 mg, 0.48 mmol) in EtOAc (2 mL) and TEA (49 mg, 0.48 mmol). The reaction was stirred at 50 C for 48 h and quenched with water. The resulting mixture was extracted with EtOAc and the organic layer was washed with 1 M aqueous HCI solution, dried over anhydrous Na2S04 and then concentrated in high vacuum. The residue was purified by silica gel chromatography (DCM/MeOH = 20/l to 10/1) to give the title compound (100 mg, yield : 59%) as yellow solid; m/z (ES+) : 526 [M + H] + .
Reference： [1]Patent: WO2013/124286,2013,A1 .Location in patent: Page/Page column 96
  • 24
  • 1-(2-methylphenyl)octahydropyrrolo[1,2-a]piperazin-6-one hydrochloride [ No CAS ]
  • [ 90390-07-1 ]
  • [ 1453068-18-2 ]
  • [ 1453068-17-1 ]
Reference： [1]Patent: WO2013/124286,2013,A1
  • 25
  • [ 1453069-67-4 ]
  • [ 90390-07-1 ]
  • [ 1453068-93-3 ]
Reference： [1]Patent: WO2013/124286,2013,A1
  • 26
  • [ 90390-07-1 ]
  • C17H14F3NO2 [ No CAS ]
Reference： [1]RSC Advances,2016,vol. 6,p. 38553 - 38557
  • 27
  • [ 90390-07-1 ]
  • C9H9ClF3N [ No CAS ]
Reference： [1]RSC Advances,2016,vol. 6,p. 38553 - 38557
  • 28
  • [ 90390-07-1 ]
  • [ 121372-62-1 ]
Reference： [1]RSC Advances,2016,vol. 6,p. 38553 - 38557
  • 29
  • 7-chloro-6-fluoro-1-isobutyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid [ No CAS ]
  • [ 90390-07-1 ]
  • 6-fluoro-1-isobutyl-7-(methyl(3-(trifluoromethyl)benzyl)amino)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 120℃; for 24h; In a 25 mL single neck round-bottomed flask, the intermediate 4 (0.5 g, 1.679 mmol) from Example 1 and N-methyl-l-(3-(trifluoromethyl)phenyl)methanamine (1.5 g, 8.39 mmol) were added and heated to 120 C for 24 h. The reaction was monitored by TLC for completion followed by an aqueous worked up and acidified with IN HCl to pH 3-4. The aqueous layer was extracted with EtOAc and the organic layer was dried over anhydrous Na2S04. The solvent was evaporated under reduced pressure to obtain the crude product which was purified by silica gel column chromatography to provide pure 6-fluoro-l-isobutyl- 7-(methyl(3-(trifluoromethyl)benzyl)amino)-4-oxo-l ,4-dihydroquinoline-3-carboxylic acid (5), (25 mg); Yield; 3.3%; NMR (400 MHz, OMSO-de) : delta 15.5 (s, 1H), 6.83-8.71 (m, 7H), 4.75 (s, 2H), 4.20 (d, 2H), 3.13 (s, 3H), 1.83-1.86 (m, 1H), 0.74-0.76 (d, 6H); MS(ESI): 451.1(M+H); HPLC: 92.07 %.
Reference： [1]Patent: WO2016/81464,2016,A1 .Location in patent: Paragraph 0097
  • 30
  • [ 62965-35-9 ]
  • [ 90390-07-1 ]
  • C20H29F3N2O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a ice cooled solution of N-Boc-aminoacid (L-tertleucine, L-Leu, L-Val, L-Phe, L-Ala) 1mmol in DCM 10 ml, HOBt hydrate (0.153 g, 1 mmol) and DCC (0.205 g, 1 mmol) was added. Reaction mixture was stirred at 0C through 30 minutes, and amine 7 a-g (2 mmol) was added. Resulting reaction mixture was stirred for 12 h and allowed to warm to room temperature. Then a few drops of acetic acid was added, solvents was removed under reduced pressure. Residue was dissolved in AcOEt and cooled to 4C, precipitate of urea was removed by filtration. Organic phase was washed with aqueous solution of KHSO4 (10%, 20ml) followed by aqueous solution of NaHCO3 (5%, 20ml) and dried with MgSO4. Solvents were removed under reduced pressure and residue was dissolved in 10ml mixture of TFA:DCM (1:1). Progress of N-deprotection was monitored with TLC. Then mixture of TFA:DCM was evaporated and trifluoroacetate salt was dissolved in DCM 10 ml. To a resulted mixture NEt3 (0.303 g, 3 mmol) and chloroform solution of isothiocyanate 9a,b[2] was added dropwise. After completion of the reaction, the solvent was removed under vacuum, and the residue was purified with flash column chromatography.
Reference： [1]Synthetic Communications,2018,vol. 48,p. 14 - 25
  • 31
  • [ 90390-07-1 ]
  • (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethyl-N-(3-(trifluoromethyl)benzyl)butanamide [ No CAS ]
Reference： [1]Synthetic Communications,2018,vol. 48,p. 14 - 25
  • 32
  • [ 90390-07-1 ]
  • C15H21F3N2O*C2HF3O2 [ No CAS ]
Reference： [1]Synthetic Communications,2018,vol. 48,p. 14 - 25

Tags: 90390-07-1 synthesis path| 90390-07-1 SDS| 90390-07-1 COA| 90390-07-1 purity| 90390-07-1 application| 90390-07-1 NMR| 90390-07-1 COA| 90390-07-1 structure

Same Skeleton Products
Related Products
Categories
Chemistry
Organic Building Blocks
Benzene Compounds
benzyl
Chemistry
Organic Building Blocks
Amines
N-methyl-1-phenylmethanamine
Chemistry
Organic Building Blocks
Trifluoromethyls
(trifluoromethyl)benzene
Chemistry
Organic Building Blocks
Aryls
Chemistry
Organic Building Blocks
Fluorinated Building Blocks
Historical Records

Related Functional Groups of
[ 90390-07-1 ]

Fluorinated Building Blocks

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 14355-04-5

[ 14355-04-5 ]

N-[3-(Trifluoromethyl)benzyl]ethylamine

Similarity: 0.97

Chemical Structure| 185332-43-8

[ 185332-43-8 ]

1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylmethanamine hydrochloride

Similarity: 0.97

Chemical Structure| 90390-12-8

[ 90390-12-8 ]

N-Ethyl-4-(trifluoromethyl)benzylamine

Similarity: 0.97

Chemical Structure| 292151-97-4

[ 292151-97-4 ]

(3-Methyl-5-(trifluoromethyl)phenyl)methanamine

Similarity: 0.90

Aryls

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 14355-04-5

[ 14355-04-5 ]

N-[3-(Trifluoromethyl)benzyl]ethylamine

Similarity: 0.97

Chemical Structure| 185332-43-8

[ 185332-43-8 ]

1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylmethanamine hydrochloride

Similarity: 0.97

Chemical Structure| 90390-12-8

[ 90390-12-8 ]

N-Ethyl-4-(trifluoromethyl)benzylamine

Similarity: 0.97

Chemical Structure| 292151-97-4

[ 292151-97-4 ]

(3-Methyl-5-(trifluoromethyl)phenyl)methanamine

Similarity: 0.90

Amines

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 14355-04-5

[ 14355-04-5 ]

N-[3-(Trifluoromethyl)benzyl]ethylamine

Similarity: 0.97

Chemical Structure| 185332-43-8

[ 185332-43-8 ]

1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylmethanamine hydrochloride

Similarity: 0.97

Chemical Structure| 90390-12-8

[ 90390-12-8 ]

N-Ethyl-4-(trifluoromethyl)benzylamine

Similarity: 0.97

Chemical Structure| 292151-97-4

[ 292151-97-4 ]

(3-Methyl-5-(trifluoromethyl)phenyl)methanamine

Similarity: 0.90

Trifluoromethyls

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 14355-04-5

[ 14355-04-5 ]

N-[3-(Trifluoromethyl)benzyl]ethylamine

Similarity: 0.97

Chemical Structure| 185332-43-8

[ 185332-43-8 ]

1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylmethanamine hydrochloride

Similarity: 0.97

Chemical Structure| 90390-12-8

[ 90390-12-8 ]

N-Ethyl-4-(trifluoromethyl)benzylamine

Similarity: 0.97

Chemical Structure| 292151-97-4

[ 292151-97-4 ]

(3-Methyl-5-(trifluoromethyl)phenyl)methanamine

Similarity: 0.90