成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 4433-63-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4433-63-0
Chemical Structure| 4433-63-0
Structure of 4433-63-0 * 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 [ 4433-63-0 ]

Related Doc. of [ 4433-63-0 ]

Alternatived Products of [ 4433-63-0 ]
Product Citations

Product Details of [ 4433-63-0 ]

CAS No. :4433-63-0 MDL No. :MFCD01074536
Formula : C2H7BO2 Boiling Point : -
Linear Structure Formula :CH3CH2B(OH)2 InChI Key :PAVZHTXVORCEHP-UHFFFAOYSA-N
M.W : 73.89 Pubchem ID :521157
Synonyms :

Calculated chemistry of [ 4433-63-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 20.86
TPSA : 40.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.06
Log Po/w (WLOGP) : -0.52
Log Po/w (MLOGP) : -1.15
Log Po/w (SILICOS-IT) : -1.84
Consensus Log Po/w : -0.69

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.27
Solubility : 39.7 mg/ml ; 0.537 mol/l
Class : Very soluble
Log S (Ali) : -0.46
Solubility : 25.4 mg/ml ; 0.344 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.57
Solubility : 276.0 mg/ml ; 3.73 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.34

Safety of [ 4433-63-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4433-63-0 ]

* 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 [ 4433-63-0 ]

[ 4433-63-0 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 4433-63-0 ]
  • [ 43192-34-3 ]
  • [ 1289126-21-1 ]
YieldReaction ConditionsOperation in experiment
2 g With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In water; toluene;Reflux; Inert atmosphere; To a mixture of 4-bromo-3-methoxy-benzaldeyde (5.0 g, 23.38 mmol), ethylboronic acid (5.2 g, 71 mmol) and potassium phosphate (17.3 g, 81.83 mmol) in toluene (100 mL) was added water (10 mL), tricyclohexylphosphine (0.65 g, 2.33 mmol) and palladium (II) acetate (260 mg, 1.16 mmol). The reaction mixture was heated at reflux under argon atmosphere overnight. The reaction was cooled, and then diluted with ethyl acetate. The organic layer was washed with water and brine, and then dried over anhydrous sodium sulfate and then concentrated in vacuo. The residue was purified by column chromatography to give 4-ethyl-3-methoxy-benzaldehyde (2 g).
2 g With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In water; toluene;Inert atmosphere; Reflux; Step 1: Preparation of 4-ethyl-3-methoxy-benzaldehyde To a mixture of 4-bromo-3-methoxy-benzalcleyde (5.0 g, 23.38 mmol), ethylboronic acid (5.2 g.71 mmol) and potassium phosphate (17.3 g, 81.83 mmol) in toluene ( 100 ml.) was added water ( 10 mL), tricyclohexylphosphinc (0.65 g, 2.33 mmol) and palladium (II) acetate (260 mg, 1.16 mmol). The reaction mixture was heated at reflux under argon atmosphere overnight. The reaction was cooled, and then diluted with ethyl acetate. The organic layer was washed with water and brine, and then dried over anhydrous sodium sulfate and then concentrated in vacuo. The residue was purified by column chromatography to give 4-ethyl-3-methoxy-benzaldehydc (2 g).
  • 2
  • [ 4433-63-0 ]
  • [ 136888-21-6 ]
  • 2-ethyl-5-fluoro-3-nitropyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,4-dioxane; at 140℃; for 16h; Pyridyl amine 9: Step 1: A mixture of <strong>[136888-21-6]2-chloro-5-fluoro-3-nitropyridine</strong> (2 g, 11.33 mmol) and ethylboronic acid (1.674 g, 22.66 mmol) in Dioxane (Volume: 28.3 ml) was treated with potassium carbonate (6.26 g, 45.3 mmol) and Pd(Ph3P)4 (0.393 g, 0.340 mmol). The mixture was heated at 140 C for 16 h, cooled to rt, and then, filtered through celite with ethyl acetate. The concentrated filtrate was purified by chromatography (hexanes to 10:90 EA/Hex) to afford the product in 39% yield (750 mg, 4.41 mmol).
  • 3
  • [ 4433-63-0 ]
  • [ 7689-03-4 ]
  • [ 78287-27-1 ]
  • 4
  • [ 4433-63-0 ]
  • [ 99365-48-7 ]
  • 4-ethylindolin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 100℃; for 6h;Inert atmosphere; A mixture of <strong>[99365-48-7]4-bromoindolin-2-one</strong> (500 mg, 2.36 mmol), ethylboronic acid (523 mg, 7.07 mmol), Pd(dppf)Cl2 (345 mg, 0.472 mmol) and Na2C03 (750mg, 7.07 mmol) in dioxane (10 mL) and water (2 mL) was degassed and purged with N2 for 3 times. And the resulting reaction mixture was stirred at 100 C for 6 hours under N2 atmosphere. A black suspension was formed. LCMS showed the purity of the desired product is 43% (Rt = 0.603 min; MS Calcd: 161.1; MS Found: 161.9 [M+H]+). The reaction mixture was filtered through a pad of celite and the solid was washed with EtOAc (100 mL). The aqueous layer was extracted with EtOAc (30 mL x2). The filtrate was washed with water (40 mL x2), brine (40 mL), dried over anhydrous Na2S04, filtered and concentrated under reduced pressure. The residue was purified by Combi Flash (20% to 50% EtOAc in PE) to give 4-ethylindolin-2-one (220 mg, yield: 48%) as a yellow solid. NMR (400 MHz, CDCb) d 1.22 (3H, t , J= 7.6 Hz), 2.59 (2H, q, J= 7.6 Hz), 3.47 (2H, s), 6.73 (1H, d , J= 7.8 Hz), 6.88 (1H, d, J= 7.8 Hz), 7.13-7.19 (1H, m), 8.31 (1H, brs).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4433-63-0 ]

Organoboron

Chemical Structure| 17745-45-8

[ 17745-45-8 ]

Propylboronic acid

Similarity: 0.80

Chemical Structure| 80041-89-0

[ 80041-89-0 ]

Isopropylboronic acid

Similarity: 0.80

Chemical Structure| 4426-47-5

[ 4426-47-5 ]

1-Butylboronic acid

Similarity: 0.71

Chemical Structure| 84110-40-7

[ 84110-40-7 ]

Isobutylboronic acid

Similarity: 0.71

Chemical Structure| 4737-50-2

[ 4737-50-2 ]

n-Pentylboronic acid

Similarity: 0.67

Aliphatic Chain Hydrocarbons

Chemical Structure| 17745-45-8

[ 17745-45-8 ]

Propylboronic acid

Similarity: 0.80

Chemical Structure| 80041-89-0

[ 80041-89-0 ]

Isopropylboronic acid

Similarity: 0.80

Chemical Structure| 4426-47-5

[ 4426-47-5 ]

1-Butylboronic acid

Similarity: 0.71

Chemical Structure| 84110-40-7

[ 84110-40-7 ]

Isobutylboronic acid

Similarity: 0.71

Chemical Structure| 701261-35-0

[ 701261-35-0 ]

Neopentylboronic acid

Similarity: 0.67

; ;