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. 445303-12-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 445303-12-8
Chemical Structure| 445303-12-8
Structure of 445303-12-8 * 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 [ 445303-12-8 ]

Related Doc. of [ 445303-12-8 ]

Alternatived Products of [ 445303-12-8 ]
Product Citations

Product Details of [ 445303-12-8 ]

CAS No. :445303-12-8 MDL No. :MFCD10699453
Formula : C14H19BO3 Boiling Point : -
Linear Structure Formula :- InChI Key :WLLNCSSMFWOCNN-UHFFFAOYSA-N
M.W : 246.11 Pubchem ID :16750379
Synonyms :

Calculated chemistry of [ 445303-12-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.57
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 72.26
TPSA : 27.69 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.91
Log Po/w (WLOGP) : 1.92
Log Po/w (MLOGP) : 1.67
Log Po/w (SILICOS-IT) : 2.38
Consensus Log Po/w : 1.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.38
Solubility : 0.103 mg/ml ; 0.000417 mol/l
Class : Soluble
Log S (Ali) : -3.15
Solubility : 0.173 mg/ml ; 0.000704 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.29
Solubility : 0.0125 mg/ml ; 0.0000508 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.98

Safety of [ 445303-12-8 ]

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 [ 445303-12-8 ]

* 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 [ 445303-12-8 ]

[ 445303-12-8 ] Synthesis Path-Downstream   1~2

YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate; In 1,4-dioxane; cyclohexane; at 85℃;Inert atmosphere; General procedure: A solution of compound (125c) (1.92 g, 6.82 mmol), bis(pinacolato)diboron (2.6 g, 10.24 mmol) and potassium acetate (2.01 g, 20.49 mmol) in dry 1,4-dioxane (45 mL) was degassed under argon for 10 minutes. The Catalyst Pd(dppf)Cl2·CH2Cl2 (279 mg, 0.34 mmol) was added and the reaction mixture was stirred at 85C overnight. The reaction mixture was filtered through celite and concentrated under reduced pressure. The residue was diluted with ethyl acetate and washed with a saturated aqueous solution of sodium hydrogencarbonate. The combined organic phases were dried over sodium sulfate, filtered and concentrated. The crude product was triturated in cyclohexane and filtered to afford compound (125d) as a brown solid (1.76 g, 78%) which was engaged in the following step without additional purification. 1H NMR (400 MHz, CDCl3) delta 1.37 (s, 12H), 1.73-1.89 (m, 2H), 2.11-2.20 (m, 1H), 2.22-2.30 (m, 1H), 3.68-3.74 (m, 1H), 3.80-3.85 (m, 1H), 3.89-3.94 (m, 1H), 4.12-4.16 (m, 1H), 4.41-4.47 (m, 1H), 7.41 (d, J = 8.2 Hz, 1H), 7.75 (dd, J = 0.9/8.2 Hz, 1H), 8.19 (s, 1H), 8.29 (bt, 1H). MS m/z ([M+H]+) 329.
  • 2
  • [ 445303-12-8 ]
  • tert-butyl [(3S,5R)-1-(3-[(7-bromoquinolin-2-yl)methyl]amino}pyridin-4-yl)-5-methylpiperidin-3-yl]carbamate [ No CAS ]
  • 4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-N-[7-(2,3-dihydro-1-benzofuran-6-yl)quinolin-2-yl]methyl}pyridin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
6-(4,4,5,5-Tetramethyl-l,3,2-dioxaborolan-2-yl)-2,3-dihydro-l-benzofuran (from Ark Pharma, 0.018 g, 0.072 mmol), fert-butyl [(35',5i?)-l-(3-[(7-bromoquinolin-2- yl)methyl]amino}pyridin-4-yl)-5-methylpiperidin-3-yl]carbamate (16.0 mg, 0.03 mmol), 1,4- dioxane (0.17 mL) and DIPEA (17.3 mg, 0.134 mmol) and water (0.017 mL) were mixed together. The mixture was flushed with nitrogen and then bis(tri-fer/- butylphosphine)palladium (7.0 mg, 0.01 mmol) was added. The reaction mixture was sealed and heated at 120 C for 2 h. The reaction mixture was cooled, filtered and concentrated under vacuum. The residue was dissolved in MeOH (1 mL), followed by the addition of 4 N HC1 in dioxane (2.0 mL) to the resultant solution. The reaction mixture was stirred at room temperature for 2 h, and the solvents were removed under vacuum. The residue was purified by prep LCMS (XBridge PrepC18 5muiotaeta OBD column, 30x10 mm, 60 mL/min, gradient elution with MeCN and water with NH4OH) to give the desired product as a white powder. LCMS calc. for C29H32N5O (M+H)+: m/z = 466.3. Found: 466.3.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 445303-12-8 ]

Organoboron

Chemical Structure| 937591-69-0

[ 937591-69-0 ]

2-(2,3-Dihydrobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.99

Chemical Structure| 754226-40-9

[ 754226-40-9 ]

2-(4-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.95

Chemical Structure| 765908-38-1

[ 765908-38-1 ]

2-(3-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.94

Chemical Structure| 1009303-77-8

[ 1009303-77-8 ]

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanol

Similarity: 0.91

Chemical Structure| 1002727-88-9

[ 1002727-88-9 ]

2-(Chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.90

Related Parent Nucleus of
[ 445303-12-8 ]

Benzofurans

Chemical Structure| 937591-69-0

[ 937591-69-0 ]

2-(2,3-Dihydrobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.99

Chemical Structure| 519054-55-8

[ 519054-55-8 ]

2-(Benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.90

Chemical Structure| 1192755-14-8

[ 1192755-14-8 ]

2-(Benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Similarity: 0.86

Chemical Structure| 763120-44-1

[ 763120-44-1 ]

(2,3-Dihydrobenzofuran-6-yl)boronic acid

Similarity: 0.78

Chemical Structure| 227305-69-3

[ 227305-69-3 ]

2,3-Dihydrobenzofuran-5-boronic acid

Similarity: 0.76

; ;