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 linkersTriphene 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  
Chemistry
Heterocyclic Building Blocks
Phthalazines
Hydralazine HCl
Chemistry
Inhibitors/Agonists
Heterocyclic Building Blocks
Membrane Transporter/Ion Channel
Phthalazines
Potassium Channel

[ CAS No. 304-20-1 ] {[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+
Chemical Structure| 304-20-1
Chemical Structure| 304-20-1
Structure of 304-20-1 * 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 [ 304-20-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 304-20-1 ]

SDS Specification
Alternatived Products of [ 304-20-1 ]

Product Details of [ 304-20-1 ]

CAS No. :304-20-1 MDL No. :MFCD00135998
Formula : C8H9ClN4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZUXNZUWOTSUBMN-UHFFFAOYSA-N
M.W : 196.64 Pubchem ID :9351
Synonyms :
Hydralazine (hydrochloride);1-Hydrazinophthalazine;Nepresol;mono-Hydrochloride, Hydralazine;Hydralazine chloride;Apresoline;Aiselazine;1-Hydrazinophthalazine hydrochloride;Hydralazine hydrochloride

Calculated chemistry of [ 304-20-1 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 53.71
TPSA : 63.83 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) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.8
Log Po/w (WLOGP) : 1.53
Log Po/w (MLOGP) : 1.49
Log Po/w (SILICOS-IT) : 0.43
Consensus Log Po/w : 1.05

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.7
Solubility : 0.396 mg/ml ; 0.00201 mol/l
Class : Soluble
Log S (Ali) : -2.76
Solubility : 0.342 mg/ml ; 0.00174 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.01
Solubility : 0.193 mg/ml ; 0.000979 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.05

Safety of [ 304-20-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P264-P270-P281-P301+P310-P308+P313-P330-P405-P501 UN#:2811
Hazard Statements:H301-H351-H361 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 304-20-1 ]

* 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.

  • Upstream synthesis route of [ 304-20-1 ]
  • Downstream synthetic route of [ 304-20-1 ]

[ 304-20-1 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 119-39-1 ]
  • [ 304-20-1 ]
YieldReaction ConditionsOperation in experiment
65%
Stage #1: at 75℃; for 0.5 h;
Stage #2: With hydrazine hydrate In ethanol; water at 60 - 70℃; for 2 h;
Stage #3: With hydrogenchloride In ethanol; water		 Phthalazin-1(2H)-one (7 mmol) and POCl3 (56 mmol) were charged into a 100-mL, 3-necked flask and heated at 75°C for 30 min. After being cooled to room temperature, the mixture was poured into ice water and then added additional 10percent NaOH until the pH of the solution is 7.5. The solid was isolated by filtration and washed with 2 ml iced water. The resulting solid was dissolved in EtOH (6 ml), to which 50percent hydrazine hydrate (3 ml) was added. After stirring at 60-70°C for 2h, the pH value of the mixture was adjusted to 3 with 15percent hydrochloric acid. Then the mixture was cooled to 0-5°C. The solid was isolated by filtration, washed with iced EtOH (2 ml), and dried, giving the desired product (894 mg, 65percent yield).
Reference： [1] Tetrahedron, 2016, vol. 72, # 50, p. 8282 - 8286
  • 2
  • [ 1044569-46-1 ]
  • [ 304-20-1 ]
YieldReaction ConditionsOperation in experiment
80% With hydrogenchloride In water at 70 - 80℃; C. Novel Preparation of Hydralazine Hydrochloride. Hydralazine free base (1 part by weight) was heated in 6 to 7 parts by volume of 15percent hydrochloric acid to a temperature of 70-80° C. The solution was filtered hot to remove traces of insoluble materials that were undesired by-products of the preceding step. Ethanol (6 to 7 parts by volume) was added to the filtrate. As the resulting solution cooled to ambient temperature and then further to 3-8° C., an off-white to pale yellow precipitate of the desired product, hydralazine hydrochloride, was obtained. Typical yields were 80-90percent.
80% With hydrogenchloride In water at 70 - 80℃; C. Conventional Preparation of Hydralazine Hydrochloride. On warming in alcoholic or aqueous hydrochloric acid, hydralazine hydrochloride of melting point 273° C. (with decomposition) was obtained.; C. Novel Preparation of Hydralazine Hydrochloride. Hydralazine free base (1 part by weight) was heated in 6 to 7 parts by volume of 15percent hydrochloric acid to a temperature of 70-80° C. The solution was filtered hot to remove traces of insoluble materials that were undesired by-products of the preceding step. Ethanol (6 to 7 parts by volume) was added to the filtrate. As the resulting solution cooled to ambient temperature and then further to 3-8° C., an off-white to pale yellow precipitate of the desired product, hydralazine hydrochloride, was obtained. Typical yields were 80-90percent. D. Recrystallization of Hydralazine Hydrochloride. A single necked, round-bottom flask was charged with 1 part by weight of hydralazine hydrochloride (from the preceding step) and 6 parts (by volume) of 1percent hydrochloric acid. The solution was stirred and heated to dissolve the solid, and then filtered hot, if necessary, to remove traces of colored insoluble by-products. Ethanol (6 parts by volume) was added to the hot (filtered) solution. As the resulting solution cooled, an off-white precipitate of purified hydralazine hydrochloride formed. The recrystallized, purified product was isolated by filtration and washed with fresh, cold ethanol. The desired product, pharmaceutical quality hydralazine hydrochloride, containing I ss than 0.5percent by weight of undesired by-products, less than 5 ppm of trace metals, and no detectable residual hydrazine, was obtained in 85-100percent yield. Melting point: 273.9-274.3° C. HPLC Chromatogram: FIG. 6. NMR Spectrum (DMSO) 3.45(s), 8.15 (t), 8.25 (t) and 9.7 (s) ppm.
65% With hydrogenchloride In water at 70 - 80℃; for 0.25 h; EXAMPLE 3 (COMPARATIVE); Preparation of Hydralazine Hydrochloride; Again according to the disclosure in the '397 application, hydralazine free base 25 g (1 part by weight) was heated in 165 mL (6 to 7 parts by volume) of 15percent hydrochloric acid to a temperature of 70-80° C. The solution was filtered hot to remove traces of insoluble materials that were undesired by-products of the preceding step. One hundred sixty five milliliters of ethanol (6 to 7 parts by volume) was added to the filtrate. As the resulting solution cooled to 25° (ambient temperature) and then further cooled to 3-8° C., a pale yellow precipitate of the desired product, hydralazine hydrochloride, solidified. The obtained yield is 65percent (the reported yields in the '397 application were 80-90percent). EXAMPLE 8; Preparation of Hydralazine Hydrochloride; Hydralazine free base 45 g (prepared by the process of example 7A) was dissolved in 1125 mL of methanol, 5 g activated carbon was added, and the mixture stirred for about 30 min. The carbon was removed by filtration and the clear filtrate was collected and then purged with HCl gas for about 15 min. The resultant reaction mass is cooled to 0 to 5° C., the precipitated off-white hydralazine hydrochloride was filtered, and then washed with cold methanol.
Reference： [1] Patent: US2005/137397, 2005, A1, . Location in patent: Page/Page column 7
[2] Patent: US2005/137198, 2005, A1, . Location in patent: Page/Page column 6-7
[3] Patent: US2007/129546, 2007, A1, . Location in patent: Page/Page column 4; 6
[4] Patent: US2005/137397, 2005, A1, . Location in patent: Page/Page column 6
  • 3
  • [ 19820-56-5 ]
  • [ 304-20-1 ]
Reference： [1] Tetrahedron, 2016, vol. 72, # 50, p. 8282 - 8286
  • 4
  • [ 90-02-8 ]
  • [ 304-20-1 ]
Reference： [1] Tetrahedron, 2016, vol. 72, # 50, p. 8282 - 8286
  • 5
  • [ 19064-69-8 ]
  • [ 304-20-1 ]
Reference： [1] Oriental Journal of Chemistry, 2017, vol. 33, # 2, p. 1041 - 1044

Tags: 304-20-1 synthesis path| 304-20-1 SDS| 304-20-1 COA| 304-20-1 purity| 304-20-1 application| 304-20-1 NMR| 304-20-1 COA| 304-20-1 structure

Same Skeleton Products
Related Products
Historical Records