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
methyl 3-bromo-4-methoxybenzoate
Methyl 5-bromo-4-methoxy-2-methylbenzoate
Chemistry
Organic Building Blocks
Aryls
Bromides Esters Ethers Phenols Benzene Compounds
methyl 3-bromo-4-methoxybenzoate
benzoyl methyl 2-methylbenzoate benzyloxymethyl benzyl p-anisyl 4-methoxyphenyl methyl 3-bromobenzoate p-methoxybenzyl

[ CAS No. 1131587-94-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1131587-94-4
Chemical Structure| 1131587-94-4
Chemical Structure| 1131587-94-4
Structure of 1131587-94-4 * 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 [ 1131587-94-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1131587-94-4 ]

SDS Specification
Alternatived Products of [ 1131587-94-4 ]

Product Details of [ 1131587-94-4 ]

CAS No. :1131587-94-4 MDL No. :MFCD11112987
Formula : C10H11BrO3 Boiling Point : -
Linear Structure Formula :- InChI Key :HDWIBWADMXRCQE-UHFFFAOYSA-N
M.W : 259.10 Pubchem ID :44828920
Synonyms :

Calculated chemistry of [ 1131587-94-4 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.88
TPSA : 35.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.71
Log Po/w (XLOGP3) : 2.8
Log Po/w (WLOGP) : 2.55
Log Po/w (MLOGP) : 2.64
Log Po/w (SILICOS-IT) : 2.88
Consensus Log Po/w : 2.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.33
Solubility : 0.121 mg/ml ; 0.000468 mol/l
Class : Soluble
Log S (Ali) : -3.2
Solubility : 0.162 mg/ml ; 0.000627 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.84
Solubility : 0.0371 mg/ml ; 0.000143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.77

Safety of [ 1131587-94-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1131587-94-4 ]

* 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 [ 1131587-94-4 ]

[ 1131587-94-4 ] Synthesis Path-Downstream   1~33

  • 1
  • [ 1131587-94-4 ]
  • [ 73183-34-3 ]
  • [ 1884574-39-3 ]
YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 90℃; for 4h; Inert atmosphere;
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 2
  • [ CAS Unavailable ]
  • [ 875245-69-5 ]
  • [ 1131587-94-4 ]
YieldReaction ConditionsOperation in experiment
99.47% With hydrogenchloride at 70℃; for 16h; 34.2 Step 2: Step 2: Methyl 5-bromo-4-methoxy-2-methyl-benzoate A mixture of 5-bromo-4-methoxy-2-methyl-benzoic acid (950.00 mg, 3.88 mmol) in HCl/MeOH (10.00 mL) was stirred at 70° C. for 16 h. The mixture was concentrated to afford methyl 5-bromo-4-methoxy-2-methyl-benzoate (1.00 g, 3.86 mmol, 99.47% yield) as product. ESI-MS (EI+, m/z): 259 [M+H]+.
93.8% With thionyl chloride Reflux; 1.C-3.C (C) Synthesis of methyl 5-bromo-4-methoxy-2-methylbenzoate: 70 g of 5-bromo-4-methoxy-2-methylbenzoic acid and 3 L of methanol were added to a 4 L four-necked flask, and 51 g of thionyl chloride was added dropwise under mechanical stirring, and the mixture was refluxed overnight, and the material was analyzed by thin layer chromatography. The reaction was completed, the solvent was evaporated, and ethyl acetate (150 mL) was evaporated. methyl 5-bromo-4-methoxy-2-methylbenzoate (69 g) was obtained. Yield: 93.8%.
71% With thionyl chloride at 3℃; Reflux; 19 Thionyl chloride (11.4 mL) was slowly added to a solution of 19A (4 g, 16.3 mmol) in methanol (30 mL). The mixture was refluxed for 3 h then cooled to room temperature. After the bulk of solvent was evaporated, the residue was diluted with water and extracted with EtOAc (100 mL×3). The combined organic fractions were dried over sulfate and concentrated under vacuum. The residue was purified by silica gel column chromatography (1%-5% EtOAc in pet. ether) to afford 19B (3.0 g, 71% yield) as a white solid: ESI m/z 258.9, 260.9[M+H]+.
68% With thionyl chloride for 3h; Reflux;

Reference： [1]Current Patent Assignee: NAVITOR PHARM; NAVITOR PHARMACEUTICALS - US2018/127370, 2018, A1 Location in patent: Paragraph 0887; 0884
[2]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A Location in patent: Page/Page column 5-7
[3]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1 Location in patent: Paragraph 0469; 0471
[4]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 3
  • [ 1131587-94-4 ]
  • [ 193978-23-3 ]
  • [ 1884574-94-0 ]
YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In 1,4-dioxane; water at 80℃; for 4h; Inert atmosphere;
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 4
  • [ 6245-57-4 ]
  • [ 1131587-94-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: iron; bromine / chloroform / 16 h / 20 °C 2: thionyl chloride / 3 h / Reflux
Multi-step reaction with 2 steps 1: iron; bromine / chloroform / 16 h / 5 - 20 °C 2: hydrogenchloride / 16 h / 70 °C
Multi-step reaction with 2 steps 1: bromine; iron / tetrachloromethane / 16 h / 5 - 20 °C 2: thionyl chloride / 3 °C / Reflux
Multi-step reaction with 2 steps 1: iron; bromine / chloroform / 20 °C 2: thionyl chloride / Reflux

Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
[2]Current Patent Assignee: NAVITOR PHARM; NAVITOR PHARMACEUTICALS - US2018/127370, 2018, A1
[3]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
[4]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A
  • 5
  • [ 1131587-94-4 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 50 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 6
  • [ 1131587-94-4 ]
  • [ 1884574-41-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / 1,4-dioxane / 4 h / 90 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium(0); potassium carbonate; bis(dibenzylideneacetone)-palladium(0) / water; 1,4-dioxane / 3 h / 80 °C / Inert atmosphere
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 7
  • [ 1131587-94-4 ]
  • [ 1884574-00-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / 1,4-dioxane / 4 h / 90 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium(0); potassium carbonate; bis(dibenzylideneacetone)-palladium(0) / water; 1,4-dioxane / 3 h / 80 °C / Inert atmosphere 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 12 h / 20 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 8
  • [ 1131587-94-4 ]
  • [ 1884574-96-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 9
  • [ 1131587-94-4 ]
  • [ 1884574-98-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 10
  • [ 1131587-94-4 ]
  • [ 1884575-00-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 50 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 11
  • [ 1131587-94-4 ]
  • [ 1912399-58-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 50 °C 5: copper(l) iodide; triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 12
  • [ 1131587-94-4 ]
  • [ 1884574-06-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 50 °C 5: copper(l) iodide; triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 13
  • [ 1131587-94-4 ]
  • [ 1884575-06-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 8 h / 20 °C
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 14
  • [ 1131587-94-4 ]
  • [ 1884574-15-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water; 1,4-dioxane / 4 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 4 h / 20 °C 4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 8 h / 20 °C 5: copper(l) iodide; caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere
Reference： [1]Yokokawa, Fumiaki; Nilar, Shahul; Noble, Christian G.; Lim, Siew Pheng; Rao, Ranga; Tania, Stefani; Wang, Gang; Lee, Gladys; Hunziker, Jürg; Karuna, Ratna; Manjunatha, Ujjini; Shi, Pei-Yong; Smith, Paul W. [Journal of Medicinal Chemistry, 2016, vol. 59, # 8, p. 3935 - 3952]
  • 15
  • [ 27329-70-0 ]
  • [ 1131587-94-4 ]
  • [ 2099143-04-9 ]
YieldReaction ConditionsOperation in experiment
95% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate In tetrahydrofuran; water at 50℃; for 18h; methyl 5 -(5 -formyl-2 -furyl)-4-methoxy-2-methylbenzoate To a stirred solution of methyl 5-bromo-4-methoxy-2-methylbenzoate, 200 mg (0.772 mmol), 5-formylfuran-2-ylboronic acid, 162 mg (1.16 mmol, 1.5 eq.) and [1,1’- Bis(diphenylphosphino)ferrocene] dichloropalladium(H), complex with dichloro5 methane, 95 rng (0.116 mmol, 15 mol%) in degazed tetrahydrofuran (5 mL) was addeda solution of sodium carbonate, 164 mg (1.54 mmol, 2.0 eq.) in degazed water (2.5 mL) and the resulting mixture was stirred at 50 °C for 18 h. After cooling to r,t,, the solvent was removed under reduced pressure, water and ethyl acetate were added and the mixture was filtered through Celite. The phases were separated and the aqueous layerwas extracted with ethyl acetate (2x). The combined organic extracts were washed with brine, dried over sodium sulfate, filtered and concentrated to give the crude product, 242 mg (95%) as a brown solid.LC-MS (Method 1): R = 3.37 mm; MS (ES+): m/z = 275 (M+H).‘H-NMR (500 MHz, CDC13) d [ppm] = 2,68 (s, 3H), 3.92 (s, 3H), 4.01 (s, 3H), 6.83 (s,1H), 7,09 (d, 1H), 7.32 (d, 1H), 8,60 (s, 1H), 9.68 (s, 1H).
Reference： [1]Current Patent Assignee: BAYER AG - WO2017/93272, 2017, A1 Location in patent: Page/Page column 88; 89
  • 16
  • [ 1131587-94-4 ]
  • [ 2099143-03-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate / water; tetrahydrofuran / 18 h / 50 °C 2.1: acetic acid / dichloromethane / 0.5 h / 20 °C 2.2: 4 h / 20 °C 3.1: water; lithium hydroxide monohydrate / tetrahydrofuran; methanol / 18 h / 0 - 20 °C
Reference： [1]Current Patent Assignee: BAYER AG - WO2017/93272, 2017, A1
  • 17
  • [ 1131587-94-4 ]
  • [ 2099143-05-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate / water; tetrahydrofuran / 18 h / 50 °C 2.1: acetic acid / dichloromethane / 0.5 h / 20 °C 2.2: 4 h / 20 °C
Reference： [1]Current Patent Assignee: BAYER AG - WO2017/93272, 2017, A1
  • 18
  • [ 1131587-94-4 ]
  • [ 2099142-66-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate / water; tetrahydrofuran / 18 h / 50 °C 2.1: acetic acid / dichloromethane / 0.5 h / 20 °C 2.2: 4 h / 20 °C 3.1: water; lithium hydroxide monohydrate / tetrahydrofuran; methanol / 18 h / 0 - 20 °C 4.1: triethylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / tetrahydrofuran / 0.33 h / 20 °C 4.2: 4 h / 20 °C
Reference： [1]Current Patent Assignee: BAYER AG - WO2017/93272, 2017, A1
  • 19
  • [ 1039022-11-1 ]
  • [ 1131587-94-4 ]
  • [ 2226084-39-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane 2: water; lithium hydroxide / methanol / 17 h / 60 °C
Reference： [1]Current Patent Assignee: NAVITOR PHARM; NAVITOR PHARMACEUTICALS - US2018/127370, 2018, A1
  • 20
  • [ 1039022-11-1 ]
  • [ 1131587-94-4 ]
  • [ 2226084-38-2 ]
YieldReaction ConditionsOperation in experiment
32.52% With tris-(dibenzylideneacetone)dipalladium(0); dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine In 1,4-dioxane 34.3 Step 3: Step 3: Methyl 5-[[1-(2-cyanophenyl)-4-piperidyl]amino]-4-methoxy-2-methyl-benzoate A mixture of 2-(4-amino-1-piperidyl)benzonitrile (1.10 g, 5.47 mmol), methyl 5-bromo-4-methoxy-2-methyl-benzoate (944.04 mg, 3.65 mmol), tBuONa (700.29 mg, 7.29 mmol), Pd2(dba)3 (66.75 mg, 72.93 umol) and BrettPhos (78.26 mg, 145.87 umol) in 1,4-dioxane (70.00 mL) was stirred at 90° C. for 17 h. The mixture was purified by SGC (EtOAc:PE=1:10) to afford methyl 5-[[1-(2-cyanophenyl)-4-piperidyl]amino]-4-methoxy-2-methyl-benzoate (450.00 mg, 1.19 mmol, 32.52% yield) as product. ESI-MS (EI+, m/z): 380.2 [M+H]+.
Reference： [1]Current Patent Assignee: NAVITOR PHARM; NAVITOR PHARMACEUTICALS - US2018/127370, 2018, A1 Location in patent: Paragraph 0888; 0884
  • 21
  • [ 1131587-94-4 ]
  • [ 2247065-62-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / 90 °C 2: ammonia / methanol / 2 h / 120 °C / Sealed tube 3: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 16 h / 100 °C 4: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
  • 22
  • [ 1131587-94-4 ]
  • [ 2247065-66-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / 90 °C 2: ammonia / methanol / 2 h / 120 °C / Sealed tube 3: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 16 h / 100 °C 4: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere 5: pyridine hydrochloride salt / 4 h / 185 °C 6: caesium carbonate / N,N-dimethyl-formamide / 14 h / 55 °C
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
  • 23
  • [ 1131587-94-4 ]
  • [ 1965310-34-2 ]
YieldReaction ConditionsOperation in experiment
86% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane at 90℃; for 4h; 19 A mixture of 19B (2.8 g, 10.8 mmol), NBS (2.02 g, 11.3 mmol) and AIBN (177 mg, 1.08 mmol) in CCl4 (50 mL) was heated to 90° C. for 4 h. After that time, the mixture was cooled to room temperature and concentrated under reduced pressure. The residue was purified by column chromatography (1%-5% EtOAc in pet. ether) to give the 19C (3.1 g, 86% yield) as a white solid: ESI m/z 338.8, 340.8 [M+H]+.
72% With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 48h; Reflux; 1.D-3.D (D) Synthesis of methyl 5-bromo-2-(bromomethyl)-4-methoxybenzoate: Add 100g of 5-bromo-4-methoxy-2-methylbenzoic acid methyl ester and 0.82g of dibenzoyl peroxide to 1L of carbon tetrachloride in a 2L four-necked flask, and mechanically stir. After adding 69 g of N-bromosuccinimide in batches, the mixture was heated and refluxed for two days. The raw material was almost completely reacted by thin layer chromatography, filtered, and the filtrate was concentrated to be viscous. 1 L of methyl tert-butyl ether was added and filtered to remove insolubles. The filtrate was spun dry to give methyl 5-bromo-2-(bromomethyl)-4-methoxybenzoate as a white solid, 94 g. Yield: 72%.
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1 Location in patent: Paragraph 0469; 0472
[2]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A Location in patent: Page/Page column 6; 7
  • 24
  • [ 1131587-94-4 ]
  • [ 1427360-45-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / 90 °C 2: ammonia / methanol / 2 h / 120 °C / Sealed tube
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 48 h / Reflux 2: methylamine / tetrahydrofuran / 0 - 20 °C
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
[2]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A
  • 25
  • [ 1131587-94-4 ]
  • [ 2247066-83-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / 90 °C 2: ammonia / methanol / 2 h / 120 °C / Sealed tube 3: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 16 h / 100 °C
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
  • 26
  • [ 1131587-94-4 ]
  • [ 2247066-89-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 4 h / 90 °C 2: ammonia / methanol / 2 h / 120 °C / Sealed tube 3: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 16 h / 100 °C 4: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere 5: pyridine hydrochloride salt / 4 h / 185 °C
Reference： [1]Current Patent Assignee: SEAL ROCK THERAPEUTICS - US2018/291002, 2018, A1
  • 27
  • [ 27060-75-9 ]
  • [ 1131587-94-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: n-butyllithium / tetrahydrofuran / 0.5 h / -78 - -20 °C / Inert atmosphere 2: iron; bromine / chloroform / 20 °C 3: thionyl chloride / Reflux
Reference： [1]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A
  • 28
  • [ 1131587-94-4 ]
  • [ 1373223-17-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 48 h / Reflux 2: methylamine / tetrahydrofuran / 0 - 20 °C 3: boron tribromide / dichloromethane / -50 - 20 °C / Inert atmosphere
Reference： [1]Current Patent Assignee: NANTONG UNIVERSITY - CN109053542, 2018, A
  • 29
  • [ CAS Unavailable ]
  • [ 1131587-94-4 ]
  • [ 2762180-41-4 ]
YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In N,N-dimethyl-formamide for 4h; Inert atmosphere; Reflux;
Reference： [1]Wang, Cheng; Qu, Lailiang; Li, Shang; Yin, Fucheng; Ji, Limei; Peng, Wan; Luo, Heng; Lu, Dehua; Liu, Xingchen; Chen, Xinye; Kong, Lingyi; Wang, Xiaobing [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12630 - 12650]
  • 30
  • [ 1131587-94-4 ]
  • [ 2762180-68-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux 2: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C 4: lithium hydroxide / methanol; water / 12 h / 20 °C
Reference： [1]Wang, Cheng; Qu, Lailiang; Li, Shang; Yin, Fucheng; Ji, Limei; Peng, Wan; Luo, Heng; Lu, Dehua; Liu, Xingchen; Chen, Xinye; Kong, Lingyi; Wang, Xiaobing [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12630 - 12650]
  • 31
  • [ 1131587-94-4 ]
  • [ 2762180-59-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux 2: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C
Reference： [1]Wang, Cheng; Qu, Lailiang; Li, Shang; Yin, Fucheng; Ji, Limei; Peng, Wan; Luo, Heng; Lu, Dehua; Liu, Xingchen; Chen, Xinye; Kong, Lingyi; Wang, Xiaobing [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12630 - 12650]
  • 32
  • [ 1131587-94-4 ]
  • [ 2762180-76-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux 2: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C 4: lithium hydroxide / methanol; water / 12 h / 20 °C 5: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C
Reference： [1]Wang, Cheng; Qu, Lailiang; Li, Shang; Yin, Fucheng; Ji, Limei; Peng, Wan; Luo, Heng; Lu, Dehua; Liu, Xingchen; Chen, Xinye; Kong, Lingyi; Wang, Xiaobing [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12630 - 12650]
  • 33
  • [ 1131587-94-4 ]
  • [ 2762180-50-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux 2: trifluoroacetic acid / dichloromethane / 6 h / 20 °C
Reference： [1]Wang, Cheng; Qu, Lailiang; Li, Shang; Yin, Fucheng; Ji, Limei; Peng, Wan; Luo, Heng; Lu, Dehua; Liu, Xingchen; Chen, Xinye; Kong, Lingyi; Wang, Xiaobing [Journal of Medicinal Chemistry, 2021, vol. 64, # 17, p. 12630 - 12650]

Tags: 1131587-94-4 synthesis path| 1131587-94-4 SDS| 1131587-94-4 COA| 1131587-94-4 purity| 1131587-94-4 application| 1131587-94-4 NMR| 1131587-94-4 COA| 1131587-94-4 structure

Same Skeleton Products
Related Products
Categories
Chemistry
Organic Building Blocks
Esters
methyl 3-bromo-4-methoxybenzoate
Chemistry
Organic Building Blocks
Bromides
methyl 3-bromo-4-methoxybenzoate
Chemistry
Organic Building Blocks
Benzene Compounds
benzoyl
Chemistry
Organic Building Blocks
Esters
methyl 2-methylbenzoate
Chemistry
Organic Building Blocks
Benzene Compounds
benzyloxymethyl
Chemistry
Organic Building Blocks
Benzene Compounds
benzyl
Chemistry
Organic Building Blocks
Aryls
p-anisyl
Chemistry
Organic Building Blocks
Phenols
4-methoxyphenyl
Chemistry
Organic Building Blocks
Esters
methyl 3-bromobenzoate
Chemistry
Organic Building Blocks
Bromides
methyl 3-bromobenzoate
Chemistry
Organic Building Blocks
Phenols
p-methoxybenzyl
Chemistry
Organic Building Blocks
Ethers
Historical Records

Related Functional Groups of
[ 1131587-94-4 ]

Aryls

Chemical Structure| 17100-63-9

[ 17100-63-9 ]

Methyl 4-bromo-3-methoxybenzoate

Similarity: 0.98

Chemical Structure| 933585-42-3

[ 933585-42-3 ]

Ethyl 4-bromo-3-methoxybenzoate

Similarity: 0.95

Chemical Structure| 26050-64-6

[ 26050-64-6 ]

Methyl 4-bromo-3,5-dimethoxybenzoate

Similarity: 0.93

Chemical Structure| 29415-97-2

[ 29415-97-2 ]

Methyl 3-bromo-4-hydroxybenzoate

Similarity: 0.93

Chemical Structure| 260806-90-4

[ 260806-90-4 ]

Methyl 3-bromo-2-methoxybenzoate

Similarity: 0.92

Bromides

Chemical Structure| 17100-63-9

[ 17100-63-9 ]

Methyl 4-bromo-3-methoxybenzoate

Similarity: 0.98

Chemical Structure| 933585-42-3

[ 933585-42-3 ]

Ethyl 4-bromo-3-methoxybenzoate

Similarity: 0.95

Chemical Structure| 26050-64-6

[ 26050-64-6 ]

Methyl 4-bromo-3,5-dimethoxybenzoate

Similarity: 0.93

Chemical Structure| 29415-97-2

[ 29415-97-2 ]

Methyl 3-bromo-4-hydroxybenzoate

Similarity: 0.93

Chemical Structure| 260806-90-4

[ 260806-90-4 ]

Methyl 3-bromo-2-methoxybenzoate

Similarity: 0.92

Ethers

Chemical Structure| 17100-63-9

[ 17100-63-9 ]

Methyl 4-bromo-3-methoxybenzoate

Similarity: 0.98

Chemical Structure| 933585-42-3

[ 933585-42-3 ]

Ethyl 4-bromo-3-methoxybenzoate

Similarity: 0.95

Chemical Structure| 26050-64-6

[ 26050-64-6 ]

Methyl 4-bromo-3,5-dimethoxybenzoate

Similarity: 0.93

Chemical Structure| 260806-90-4

[ 260806-90-4 ]

Methyl 3-bromo-2-methoxybenzoate

Similarity: 0.92

Chemical Structure| 24507-29-7

[ 24507-29-7 ]

3-Bromo-4-ethoxybenzoic acid

Similarity: 0.92

Esters

Chemical Structure| 17100-63-9

[ 17100-63-9 ]

Methyl 4-bromo-3-methoxybenzoate

Similarity: 0.98

Chemical Structure| 933585-42-3

[ 933585-42-3 ]

Ethyl 4-bromo-3-methoxybenzoate

Similarity: 0.95

Chemical Structure| 26050-64-6

[ 26050-64-6 ]

Methyl 4-bromo-3,5-dimethoxybenzoate

Similarity: 0.93

Chemical Structure| 29415-97-2

[ 29415-97-2 ]

Methyl 3-bromo-4-hydroxybenzoate

Similarity: 0.93

Chemical Structure| 260806-90-4

[ 260806-90-4 ]

Methyl 3-bromo-2-methoxybenzoate

Similarity: 0.92