天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 5122-94-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5122-94-1
Chemical Structure| 5122-94-1
Structure of 5122-94-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 5122-94-1 ]

Related Doc. of [ 5122-94-1 ]

Alternatived Products of [ 5122-94-1 ]
Product Citations

Product Details of [ 5122-94-1 ]

CAS No. :5122-94-1 MDL No. :MFCD00093311
Formula : C12H11BO2 Boiling Point : -
Linear Structure Formula :(C6H5)(C6H4)B(OH)2 InChI Key :XPEIJWZLPWNNOK-UHFFFAOYSA-N
M.W : 198.03 Pubchem ID :151253
Synonyms :

Calculated chemistry of [ 5122-94-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 61.7
TPSA : 40.46 ?2

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) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.45
Log Po/w (WLOGP) : 1.03
Log Po/w (MLOGP) : 1.88
Log Po/w (SILICOS-IT) : 0.9
Consensus Log Po/w : 1.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.07
Solubility : 0.168 mg/ml ; 0.000849 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.226 mg/ml ; 0.00114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.81
Solubility : 0.0307 mg/ml ; 0.000155 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 5122-94-1 ]

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

Application In Synthesis of [ 5122-94-1 ]

* 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 [ 5122-94-1 ]

[ 5122-94-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 335349-57-0 ]
  • [ 5122-94-1 ]
  • [ 1224840-93-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate;FibreCat; In ethanol; water; at 110℃; for 0.13333299999999998h;Microwave irradiation; A 5 mL Biotage microwave vial was charged with FibreCat (Aldrich, 0.4 mmol/g; 37.5 mg, 3 mol%) and biphenyl-4- boronic acid (1 19.0 mg, 0.600 mmol). A solution of S-chloro^-iodo^-nitro-phenylamine (Intermediate 1, 149.0 mg, 0.500 mmol) in EtOH (4.4 mL) was added followed by IM aqueous K2CO3 (0.6 mL). The vial was heated in a microwave synthesizer (Biotage Initiator) at 1100C for 8 min. Contents of the vial were diluted with EtOAc (2 mL) and filtered. The resulting precipitate was washed with EtOAc (three times, 2 mL). The filtrate and washes were combined and evaporated to dryness in vacuo. The residue was dissolved in EtOAc (4 mL), washed with 1 M aqueous K2CO3 (twice, 1 mL) and evaporated to dryness in vacuo to give an orange-yellow solid. LR-MS (API-ES): calculated for Ci8Hi3ClN2O2 324.1, observed m/e 367.2 (100%), 347.0 ((M + Na)+, 325.0 (M + H)+, (Rt 3.56 min). The crude product was used in the next step without further purification.
  • 2
  • [ 5122-94-1 ]
  • [ 4506-66-5 ]
  • [ 1309370-65-7 ]
  • 3
  • [ 1333240-17-7 ]
  • [ 5122-94-1 ]
  • 2-(4-biphenyl)-4,5-dimethoxypyrimidine [ No CAS ]
  • 4
  • [ 88-12-0 ]
  • [ 383-62-0 ]
  • [ 5122-94-1 ]
  • ethyl 4-([1,1'-biphenyl]-4-yl)-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanoate [ No CAS ]
  • 5
  • [ 88-12-0 ]
  • [ 383-62-0 ]
  • [ 5122-94-1 ]
  • C22H23F2NO3 [ No CAS ]
  • C22H23F2NO3 [ No CAS ]
  • 6
  • [ 4271-26-5 ]
  • [ 383-62-0 ]
  • [ 5122-94-1 ]
  • ethyl 4-([1,1'-biphenyl]-4-yl)-2,2-difluoro-4-(2-oxooxazolidin-3-yl)butanoate [ No CAS ]
  • 7
  • [ 23351-91-9 ]
  • [ 5122-94-1 ]
  • [1,1';4',1'']terphenyl-3,5-dicarboxylic acid [ No CAS ]
  • 9
  • [ 5122-94-1 ]
  • [ 39549-79-6 ]
  • 2-([1,1'-biphenyl]-4-yl)-7-methyl-2,3-dihydrobenzo[d][1,3,2]diazaborinin-4(1H)-one [ No CAS ]
  • 10
  • [ 381-98-6 ]
  • [ 5122-94-1 ]
  • C16H13F3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
109 mg With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver(l) oxide; In tert-Amyl alcohol; at 50℃; for 20h;Inert atmosphere; General procedure: Amixture of phenylboronic acid (1a) (1 mmol, 122 mg), alpha-trifluoromethylacrylicacid (2) (0.5 mmol, 70 mg), [Cp*RhCl2]2 (0.01 mmol, 6 mg), AgSbF6 (0.1 mmol, 34mg), Ag2O (1 mmol, 232 mg), and 1-methylnaphthalene (ca. 40 mg) as internal standard was stirred in tert-amylalcohol (3 ml) under argon at 50 C for 20 h.Then the reaction mixture was diluted by ethyl acetate (30 ml). The organiclayer was washed by 1 N HCl(30 ml), water 30 (ml), and brine (30 ml) and driedover Na2SO4. After evaporation of the solvents under vacuum, product 3a? (101 mg,93%) was isolated by column chromatography on silica gel usinghexane/EtOAc/AcOH=90/9/1 (v/v/v) as eluent.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;