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. 58551-83-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 58551-83-0
Chemical Structure| 58551-83-0
Structure of 58551-83-0 * 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 [ 58551-83-0 ]

Related Doc. of [ 58551-83-0 ]

Alternatived Products of [ 58551-83-0 ]
Product Citations

Product Details of [ 58551-83-0 ]

CAS No. :58551-83-0 MDL No. :MFCD00061197
Formula : C7H3F3O Boiling Point : No data available
Linear Structure Formula :- InChI Key :KPJIEPBITZLHPQ-UHFFFAOYSA-N
M.W : 160.09 Pubchem ID :521845
Synonyms :

Calculated chemistry of [ 58551-83-0 ]      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 : 0.0
Molar Refractivity : 31.7
TPSA : 17.07 ?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) : -6.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.38
Log Po/w (XLOGP3) : 1.69
Log Po/w (WLOGP) : 3.18
Log Po/w (MLOGP) : 2.74
Log Po/w (SILICOS-IT) : 3.25
Consensus Log Po/w : 2.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.23
Solubility : 0.932 mg/ml ; 0.00582 mol/l
Class : Soluble
Log S (Ali) : -1.66
Solubility : 3.48 mg/ml ; 0.0217 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.17
Solubility : 0.108 mg/ml ; 0.000673 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.07

Safety of [ 58551-83-0 ]

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

Application In Synthesis of [ 58551-83-0 ]

* 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 [ 58551-83-0 ]

[ 58551-83-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 845305-83-1 ]
  • [ 58551-83-0 ]
  • [ 1138448-37-9 ]
YieldReaction ConditionsOperation in experiment
Compound IB (200 mg, 0.704 mmol) was dissolved in 10 mL Of CH2Cl2. 2,4,6- trifluorobenzaldehyde (225 mg, 1.408 mmol) and acetic acid (0.1 mL) were then added and the reaction was allowed to stir for 10 minutes. Na(OAc)3BH (313 mg, 1.408 mmol) was then added and the resulting mixture was allowed to stir at room temperature for 18 hours, then diluted with CH2Cl2, washed with a IN NaOH aqueous solution and brine, dried over MgSO4, filtered and concentrated in vacuo. The resulting residue was purified using flash column chromatography on silica gel (MeOH-CH2Cl2, 1 : 10) to provide compound 6A as a yellow oil.
  • 2
  • [ 58551-83-0 ]
  • [ 885520-26-3 ]
YieldReaction ConditionsOperation in experiment
47% Example 88.2-(4,6-Difluoro-l-methyl-lH-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2- (3-cyano-azetidin-l -yl)-l -methyl-2-oxo-ethyl]-amideStep 14,6-Difluoro-lH-indazoleTo a solution of 2,4,6-trifluorobenzaldehyde (0.80 g, 5.0 mmol) in 1 ,2-dimethoxyethane (10 mL) were added potassium carbonate (1.04 g, 7.5 mmol) and O-methylhydroxylamine hydrochloride (438 mg, 5.25 mmol). The reaction mixture was heated at 50C for 5 h then cooled to room temperature and filtered, rinsing with dichloromethane. The filtrate was concentrated. The residue was dissolved in 1 ,2-dimethoxyethane (10 mL) and hydrazine (0.17 mL, 5.5 mmol) was added. The reaction mixture was heated at 100C for 1.5 h. Additional hydrazine (0.17 mL, 5.5 mmol) was added and heating was continued for 30 min. Thereaction was cooled to room temperature, poured into water, and extracted with ethyl acetate. The organic layer was washed with sat LiCl and brine then dried over MgS04 and concentrated. The residue was purified by silica gel chromatography with 20% to 50% EtO Ac/heptane to provide 358 mg (47%) of 4,6- difluoro- lH-indazole as a light yellow solid. 1H NMR (DMSO-d6, 300 MHz): ? (ppm) 13.47 (br. s., 1H), 8.19 (s, 1H), 7.22 (d, J=9.1 Hz, 1H), 6.96 (td, J=10.0, 1.9 Hz, 1H).
  • 3
  • [ 58551-83-0 ]
  • [ 887567-79-5 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 58551-83-0 ]

Fluorinated Building Blocks

Chemical Structure| 437-81-0

[ 437-81-0 ]

2,6-Difluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 1201597-22-9

[ 1201597-22-9 ]

2,6-Difluoro-4-methylbenzaldehyde

Similarity: 0.98

Chemical Structure| 847502-88-9

[ 847502-88-9 ]

2,4-Difluoro-3-methylbenzaldehyde

Similarity: 0.97

Chemical Structure| 886762-64-7

[ 886762-64-7 ]

2-Fluoro-3-methylbenzaldehyde

Similarity: 0.95

Chemical Structure| 1550-35-2

[ 1550-35-2 ]

2,4-Difluorobenzaldehyde

Similarity: 0.95

Aryls

Chemical Structure| 437-81-0

[ 437-81-0 ]

2,6-Difluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 1201597-22-9

[ 1201597-22-9 ]

2,6-Difluoro-4-methylbenzaldehyde

Similarity: 0.98

Chemical Structure| 847502-88-9

[ 847502-88-9 ]

2,4-Difluoro-3-methylbenzaldehyde

Similarity: 0.97

Chemical Structure| 886762-64-7

[ 886762-64-7 ]

2-Fluoro-3-methylbenzaldehyde

Similarity: 0.95

Chemical Structure| 1550-35-2

[ 1550-35-2 ]

2,4-Difluorobenzaldehyde

Similarity: 0.95

Aldehydes

Chemical Structure| 437-81-0

[ 437-81-0 ]

2,6-Difluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 1201597-22-9

[ 1201597-22-9 ]

2,6-Difluoro-4-methylbenzaldehyde

Similarity: 0.98

Chemical Structure| 847502-88-9

[ 847502-88-9 ]

2,4-Difluoro-3-methylbenzaldehyde

Similarity: 0.97

Chemical Structure| 886762-64-7

[ 886762-64-7 ]

2-Fluoro-3-methylbenzaldehyde

Similarity: 0.95

Chemical Structure| 1550-35-2

[ 1550-35-2 ]

2,4-Difluorobenzaldehyde

Similarity: 0.95

; ;