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. 139911-29-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 139911-29-8
Chemical Structure| 139911-29-8
Structure of 139911-29-8 * 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 [ 139911-29-8 ]

Related Doc. of [ 139911-29-8 ]

Alternatived Products of [ 139911-29-8 ]
Product Citations

Product Details of [ 139911-29-8 ]

CAS No. :139911-29-8 MDL No. :MFCD17214439
Formula : C7H8BFO2 Boiling Point : -
Linear Structure Formula :- InChI Key :IQMLIVUHMSIOQP-UHFFFAOYSA-N
M.W : 153.95 Pubchem ID :2734665
Synonyms :
Chemical Name :2-Methyl-4-fluorophenylboronic acid

Calculated chemistry of [ 139911-29-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 41.19
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) : -6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.29
Log Po/w (WLOGP) : 0.23
Log Po/w (MLOGP) : 1.05
Log Po/w (SILICOS-IT) : 0.12
Consensus Log Po/w : 0.54

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.94
Solubility : 1.75 mg/ml ; 0.0114 mol/l
Class : Very soluble
Log S (Ali) : -1.74
Solubility : 2.8 mg/ml ; 0.0182 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.94
Solubility : 1.77 mg/ml ; 0.0115 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.66

Safety of [ 139911-29-8 ]

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 [ 139911-29-8 ]

* 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 [ 139911-29-8 ]

[ 139911-29-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 139911-28-7 ]
  • [ 144-55-8 ]
  • [ 497-19-8 ]
  • [ 139911-29-8 ]
  • ethyl 2-(2-methyl-4-fluorophenyl)-5-fluorobenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
3.4 g (92%) tetrakis(triphenylphosphine)palladium (0); In ethanol; toluene; Ethyl 2-(2-Methyl-4-fluorophenyl)-5-fluorobenzoate Tetrakis(triphenylphosphine)palladium(0) (0.02 eq, 0.31 g) was added to a vigorously stirred solution of <strong>[139911-28-7]ethyl 2-bromo-5-fluorobenzoate</strong> (1.0 eq, 3.3 g, 0.013 mol) and 2-methyl-4-fluorophenylboronic acid (1.2 eq, 0.016 mol, 2.4 g) in 45 mL of toluene, 22 mL of 2M aqueous sodium carbonate, and 11 mL of ethanol and the mixture was refluxed for 9 h. The cooled reaction mixture was poured into 50 mL each of water, ammonium hydroxide, and 2M aqueous sodium bicarbonate and then filtered through Celite. The filtrate was extracted with ethyl acetate and the organics were dried (MgSO4) and concentrated to yield 3.9 g of a yellow oil. Chromatography (silica gel, 20% ethyl acetate/hexane) gave 3.4 g (92%) of product as a light colored oil. 1 H NMR (CDCl3, 60 mHz) delta 7.7 (dd, 1 H), 7.5 (m, 1 H), 7.25- 6.75 (m, 4 H), 4.0 (q, 2 H), 2.0 (s, 3 H), 1.0 (t, 3 H); IR (CDCl3 solution) 3130, 2220, 1700, 1450, 1080 cm-1; MS m/z 276 (M+), 201 (base peak).
  • 2
  • [ 14221-01-3 ]
  • [ 139911-28-7 ]
  • [ 144-55-8 ]
  • [ 497-19-8 ]
  • [ 139911-29-8 ]
  • ethyl 2-(2-methyl-4-fluorophenyl)-5-fluorobenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
3.4 g (92%) In ethanol; toluene; Ethyl 2-(2-Methyl-4-fluorophenyl)-5-fluorobenzoate Tetrakis(triphenylphosphine)palladium(O) (0.02 eq, 0.31 g) was added to a vigorously stirred solution of <strong>[139911-28-7]ethyl 2-bromo-5-fluorobenzoate</strong> (1.0 eq, 3.3 g, 0.013 mol) and 2-methyl-4-fluorophenylboronic acid (1.2 eq, 0.016 mol, 2.4 g) in 45 mL of toluene, 22 mL of 2M aqueous sodium carbonate, and 11 mL of ethanol and the mixture was refluxed for 9 h. The cooled reaction mixture was poured into 50 mLeach of water, ammonium hydroxide, and 2M aqueous sodium bicarbonate and then filtered through Celite. The filtrate was extracted with ethyl acetate an the organics were dried (MgSO4) and concentrated to yield 3.9 g of a yellow oil. Chromatography (silica gel, 20% ethyl acetate/hexane) gave 3.4 g (92%) of product as a light colored oil. 1 H NMR (CDCl3, 60 mHz) delta7.7 (dd, 1H), 7.5 (m, 1H), 7.25-6.75 (m, 4H), 4.0 (q, 2H), 2.0 (s, 3H), 1.0 (t, 3H); IR (CDCl3 solution) 3130, 2220, 1700, 1450, 1080 cm-1; MS m/z 276 (M+), 201 (base peak).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 139911-29-8 ]

Fluorinated Building Blocks

Chemical Structure| 163517-62-2

[ 163517-62-2 ]

2-Methyl-5-fluorophenylboronic acid

Similarity: 0.98

Chemical Structure| 850593-06-5

[ 850593-06-5 ]

(3-Fluoro-5-methylphenyl)boronic acid

Similarity: 0.88

Chemical Structure| 1061223-45-7

[ 1061223-45-7 ]

(4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid

Similarity: 0.88

Chemical Structure| 170981-26-7

[ 170981-26-7 ]

(2-Fluoro-4-methylphenyl)boronic acid

Similarity: 0.87

Chemical Structure| 140369-67-1

[ 140369-67-1 ]

4-(4-Fluorophenyl)phenylboronic acid

Similarity: 0.87

Organoboron

Chemical Structure| 163517-62-2

[ 163517-62-2 ]

2-Methyl-5-fluorophenylboronic acid

Similarity: 0.98

Chemical Structure| 850593-06-5

[ 850593-06-5 ]

(3-Fluoro-5-methylphenyl)boronic acid

Similarity: 0.88

Chemical Structure| 1061223-45-7

[ 1061223-45-7 ]

(4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid

Similarity: 0.88

Chemical Structure| 170981-26-7

[ 170981-26-7 ]

(2-Fluoro-4-methylphenyl)boronic acid

Similarity: 0.87

Chemical Structure| 140369-67-1

[ 140369-67-1 ]

4-(4-Fluorophenyl)phenylboronic acid

Similarity: 0.87

Aryls

Chemical Structure| 163517-62-2

[ 163517-62-2 ]

2-Methyl-5-fluorophenylboronic acid

Similarity: 0.98

Chemical Structure| 850593-06-5

[ 850593-06-5 ]

(3-Fluoro-5-methylphenyl)boronic acid

Similarity: 0.88

Chemical Structure| 1061223-45-7

[ 1061223-45-7 ]

(4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid

Similarity: 0.88

Chemical Structure| 170981-26-7

[ 170981-26-7 ]

(2-Fluoro-4-methylphenyl)boronic acid

Similarity: 0.87

Chemical Structure| 140369-67-1

[ 140369-67-1 ]

4-(4-Fluorophenyl)phenylboronic acid

Similarity: 0.87

; ;