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. 126747-14-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 126747-14-6
Chemical Structure| 126747-14-6
Structure of 126747-14-6 * 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 [ 126747-14-6 ]

Related Doc. of [ 126747-14-6 ]

Alternatived Products of [ 126747-14-6 ]
Product Citations

Product Details of [ 126747-14-6 ]

CAS No. :126747-14-6 MDL No. :MFCD01318968
Formula : C7H6BNO2 Boiling Point : -
Linear Structure Formula :(HO)2BC6H4CN InChI Key :CEBAHYWORUOILU-UHFFFAOYSA-N
M.W : 146.94 Pubchem ID :2734326
Synonyms :
Chemical Name :4-Cyanophenylboronic acid

Calculated chemistry of [ 126747-14-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.98
TPSA : 64.25 ?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 : Yes
Log Kp (skin permeation) : -6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.54
Log Po/w (WLOGP) : -0.76
Log Po/w (MLOGP) : -0.36
Log Po/w (SILICOS-IT) : -0.78
Consensus Log Po/w : -0.27

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.43
Solubility : 5.47 mg/ml ; 0.0373 mol/l
Class : Very soluble
Log S (Ali) : -1.46
Solubility : 5.09 mg/ml ; 0.0346 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.35
Solubility : 6.52 mg/ml ; 0.0444 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 126747-14-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 126747-14-6 ]

* 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 [ 126747-14-6 ]
  • Downstream synthetic route of [ 126747-14-6 ]

[ 126747-14-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 201230-82-2 ]
  • [ 126747-14-6 ]
  • [ 32446-66-5 ]
YieldReaction ConditionsOperation in experiment
53% With tetrakis(triphenylphosphine) palladium(0); 1,3-bis-(diphenylphosphino)propane; silver nitrate In acetone at 40℃; for 24 h; Autoclave; Inert atmosphere General procedure: The reaction was carried out in an autoclave containing a 10mL Teflon reaction tube. Pd(PPh3)4 (0.02 mmol), DPPP(0.04 mmol), and a magnetic stir bar were placed in the tubewhich was then capped with a stopper and flushed withargon. Then, aryl boronic acid (1 mmol), AgNO3 (1 mmol),and acetone (3 mL) were added to the tube. The tube was putinto the autoclave. Once sealed, the autoclave was purgedseveral times with CO, pressurized to 1 atm at r.t. and thenheated in an oil bath at 40 °C for 24 h. The autoclave wasthen cooled to r.t. and carefully vented to discharge CO in afume hood. Water (10 mL) was added, and the product wasextracted with CH2Cl2 (3 × 15 mL). The organic layers werewashed with brine, dried over Na2SO4, and evaporated. Thecrude product was purified by column chromatography onsilica gel using a mixture of EtOAc and PE as eluent to givethe products. The identity and purity of the product wasconfirmed by 1H NMR and 13C NMR spectroscopy and MSor HRMS spectrometry.
Reference: [1] Synlett, 2014, vol. 25, # 8, p. 1097 - 1100
[2] Chemistry - An Asian Journal, 2014, vol. 9, # 9, p. 2411 - 2414,4
  • 2
  • [ 201230-82-2 ]
  • [ 3058-39-7 ]
  • [ 126747-14-6 ]
  • [ 32446-66-5 ]
Reference: [1] RSC Advances, 2014, vol. 4, # 83, p. 44312 - 44316
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 126747-14-6 ]

Organoboron

Chemical Structure| 867333-43-5

[ 867333-43-5 ]

(5-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 150255-96-2

[ 150255-96-2 ]

3-Cyanophenylboronic acid

Similarity: 0.98

Chemical Structure| 313546-18-8

[ 313546-18-8 ]

(4-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 1328882-30-9

[ 1328882-30-9 ]

(2-Cyano-4-methylphenyl)boronic acid

Similarity: 0.96

Chemical Structure| 313546-19-9

[ 313546-19-9 ]

3-Cyano-2-methylphenylboronic acid

Similarity: 0.91

Aryls

Chemical Structure| 867333-43-5

[ 867333-43-5 ]

(5-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 150255-96-2

[ 150255-96-2 ]

3-Cyanophenylboronic acid

Similarity: 0.98

Chemical Structure| 313546-18-8

[ 313546-18-8 ]

(4-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 1328882-30-9

[ 1328882-30-9 ]

(2-Cyano-4-methylphenyl)boronic acid

Similarity: 0.96

Chemical Structure| 313546-19-9

[ 313546-19-9 ]

3-Cyano-2-methylphenylboronic acid

Similarity: 0.91

Nitriles

Chemical Structure| 867333-43-5

[ 867333-43-5 ]

(5-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 150255-96-2

[ 150255-96-2 ]

3-Cyanophenylboronic acid

Similarity: 0.98

Chemical Structure| 313546-18-8

[ 313546-18-8 ]

(4-Cyano-2-methylphenyl)boronic acid

Similarity: 0.98

Chemical Structure| 1328882-30-9

[ 1328882-30-9 ]

(2-Cyano-4-methylphenyl)boronic acid

Similarity: 0.96

Chemical Structure| 313546-19-9

[ 313546-19-9 ]

3-Cyano-2-methylphenylboronic acid

Similarity: 0.91

; ;