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. 162101-25-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 162101-25-9
Chemical Structure| 162101-25-9
Structure of 162101-25-9 * 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 [ 162101-25-9 ]

Related Doc. of [ 162101-25-9 ]

Alternatived Products of [ 162101-25-9 ]
Product Citations

Product Details of [ 162101-25-9 ]

CAS No. :162101-25-9 MDL No. :MFCD00792436
Formula : C6H5BF2O2 Boiling Point : No data available
Linear Structure Formula :(HO)2B(C6H3F2) InChI Key :DBZAICSEFBVFHL-UHFFFAOYSA-N
M.W : 157.91 Pubchem ID :2734336
Synonyms :

Calculated chemistry of [ 162101-25-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 36.18
TPSA : 40.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.03
Log Po/w (WLOGP) : 0.49
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 0.13
Consensus Log Po/w : 0.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.81
Solubility : 2.47 mg/ml ; 0.0156 mol/l
Class : Very soluble
Log S (Ali) : -1.47
Solubility : 5.35 mg/ml ; 0.0339 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.83
Solubility : 2.31 mg/ml ; 0.0147 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 162101-25-9 ]

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

Application In Synthesis of [ 162101-25-9 ]

* 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 [ 162101-25-9 ]

[ 162101-25-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 479691-42-4 ]
  • [ 162101-25-9 ]
  • [ 1143579-00-3 ]
YieldReaction ConditionsOperation in experiment
87% With potassium fluoride;tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; In tetrahydrofuran; hexane; water; at 20 - 60℃; for 2.0h; (1) Tert-butyl 4-[4-(2,6-difluorophenyl)pyrimidin-2-yl]piperazine-1-carboxylate To a solution of <strong>[479691-42-4]tert-butyl 4-(4-chloropyrimidin-2-yl)piperazine-1-carboxylate</strong> (6.00 g, 20.1 mmol), 2,6-difluorophenyl boronic acid (3.80 g, 24.1 mmol), potassium fluoride (3.5 g, 60.3 mmol) in tetrahydrofuran-water (10:1)(66 ml) was added trisbenzylidene acetone dipalladium (1.80 g, 2.01 mmol) and tri-tert-butylphosphine (10 wt % in hexane) (8.4 g, 4.02 mmol) under nitrogen atmosphere at room temperature, and the mixture was stirred at 60 C. for 2 hours. The reaction solution was cooled to the room temperature, and concentrated. To the residue was poured water, and extracted with ethyl acetate. The extract was dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure. The residue was purified by a column chromatography on silica gel (ethyl acetate:hexane=1:5) to obtain the title compound (6.60 g, 87%) as a solid. 1H-NMR (CDCl3) delta: 1.42 (9H, s), 3.32-3.42 (4H, m), 3.72-3.75 (4H, m), 6.84-6.85 (1H, m), 7.22-7.26 (2H, m), 7.54-7.62 (1H, m), 8.51 (1H, d, J=4.9 Hz).
  • 2
  • [ 118289-17-1 ]
  • [ 162101-25-9 ]
  • 2-(2,4-difluorophenyl)-4-formylpyridine [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 162101-25-9 ]

Fluorinated Building Blocks

Chemical Structure| 182482-25-3

[ 182482-25-3 ]

2,4,6-Trifluorophenylboronic acid

Similarity: 1.00

Chemical Structure| 144025-03-6

[ 144025-03-6 ]

2,4-Difluorophenylboronic acid

Similarity: 0.94

Chemical Structure| 1993-03-9

[ 1993-03-9 ]

(2-Fluorophenyl)boronic acid

Similarity: 0.92

Chemical Structure| 193353-34-3

[ 193353-34-3 ]

(2,5-Difluorophenyl)boronic acid

Similarity: 0.90

Chemical Structure| 1582-24-7

[ 1582-24-7 ]

Pentafluorophenylboronic acid

Similarity: 0.89

Organoboron

Chemical Structure| 182482-25-3

[ 182482-25-3 ]

2,4,6-Trifluorophenylboronic acid

Similarity: 1.00

Chemical Structure| 144025-03-6

[ 144025-03-6 ]

2,4-Difluorophenylboronic acid

Similarity: 0.94

Chemical Structure| 1993-03-9

[ 1993-03-9 ]

(2-Fluorophenyl)boronic acid

Similarity: 0.92

Chemical Structure| 193353-34-3

[ 193353-34-3 ]

(2,5-Difluorophenyl)boronic acid

Similarity: 0.90

Chemical Structure| 1582-24-7

[ 1582-24-7 ]

Pentafluorophenylboronic acid

Similarity: 0.89

Aryls

Chemical Structure| 182482-25-3

[ 182482-25-3 ]

2,4,6-Trifluorophenylboronic acid

Similarity: 1.00

Chemical Structure| 144025-03-6

[ 144025-03-6 ]

2,4-Difluorophenylboronic acid

Similarity: 0.94

Chemical Structure| 1993-03-9

[ 1993-03-9 ]

(2-Fluorophenyl)boronic acid

Similarity: 0.92

Chemical Structure| 193353-34-3

[ 193353-34-3 ]

(2,5-Difluorophenyl)boronic acid

Similarity: 0.90

Chemical Structure| 1582-24-7

[ 1582-24-7 ]

Pentafluorophenylboronic acid

Similarity: 0.89

; ;