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. 622-50-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 622-50-4
Chemical Structure| 622-50-4
Structure of 622-50-4 * 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 [ 622-50-4 ]

Related Doc. of [ 622-50-4 ]

Alternatived Products of [ 622-50-4 ]
Product Citations

Product Details of [ 622-50-4 ]

CAS No. :622-50-4 MDL No. :MFCD00016352
Formula : C8H8INO Boiling Point : -
Linear Structure Formula :- InChI Key :SIULLDWIXYYVCU-UHFFFAOYSA-N
M.W : 261.06 Pubchem ID :12147
Synonyms :
Chemical Name :N-(4-Iodophenyl)acetamide

Calculated chemistry of [ 622-50-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.47
TPSA : 29.1 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 2.71
Log Po/w (WLOGP) : 2.06
Log Po/w (MLOGP) : 2.42
Log Po/w (SILICOS-IT) : 2.33
Consensus Log Po/w : 2.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.44
Solubility : 0.0953 mg/ml ; 0.000365 mol/l
Class : Soluble
Log S (Ali) : -2.97
Solubility : 0.277 mg/ml ; 0.00106 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.74
Solubility : 0.0477 mg/ml ; 0.000183 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.52

Safety of [ 622-50-4 ]

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 [ 622-50-4 ]

* 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 [ 622-50-4 ]

[ 622-50-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 622-50-4 ]
  • [ 25015-63-8 ]
  • [ 214360-60-8 ]
YieldReaction ConditionsOperation in experiment
81%Chromat. With triethylamine;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 80℃; for 5h; [00168] To 25 mg PdCl2(dppf).CH2Cl2 in a reaction tube under nitrogen were added 4 ml dioxane, 0.43 ml (3 mmol) triethylamine, 0.47 ml (3.2 mmol) pinacolborane and 262 mg (1.0 mmol) p-iodoacetanilide. The p-iodoacetanilide did not react with the pinacolborane to liberate hydrogen. The reaction solution was warmed to 80 C. with stirring in an oil bath. After 1 h the solution had darkened and an aliquot (0.3 ml) was removed from the reaction solution, extracted into diethyl ether, washed several times with water and analysed by gc (fid detector, SGE HT5 capillary column). There was only one strong peak (of area 74% of total peak areas, uncorrected for response factors) in the gc and that was shown by gc/ms to be due to the desired arylboronic acid pinacol ester. On heating the reaction mixture for a further 4 h at 80 C., the apparent yield of the required boronic acid ester increased to 81% while that of the acetanilide and phenylboronic acid pinacol ester peak areas were 14% and 3.4% respectively.
90%Chromat. [00240] The catalyst amount in this reaction was reduced to approx. {fraction (1/35)} that used in the small scale reactions. The molar ratio of catalyst:iodide:pinacolborane:NEt3 is 1:1150:1500:2933. The amount of pinacolborane was 1.25 equivalents compared to the iodide. The pinacolborane was made from BH3?e2 by reaction with pinacol in dioxane. 50 ml of BH3?e2 were dissolved in 100 ml of dioxane in a 1 L Schlenk flask. To this was added dropwise 63.0 g of pinacol in 140 ml dioxane. After the addition was complete the solution was stirred at room temp. and then at 60 C. to ensure complete reaction of the BH3?e2. The solution contained a little white precipitate. [00241] The catalyst was activated prior to use by heating 1500 mg of PdCl2[dppf].CH2Cl2 with 30 ml of triethylamine in 370 ml dioxane at 80 C. from for 7.5 h. 67 ml of this dark brown solution was used in the reaction. [C00065] [00242] To the pinacolborane solution was added 120 ml (863 mmol) dry triethylamine, 92 g (352.5 mmol) p-iodoacetanilide and then 67 ml of the catalyst solution. The reaction solution was placed in the oil bath at 80 C. The solution became clear and pale brown in colour and after about 1 to 2 h, a precipitate of the amine.HI salt separated. After 5 h the reaction was over 90% complete. Heating was continued for several more hours after which no starting material was observed, by gc, to be in the reaction solution. The reaction product in a number of such reactions was always over 90% by gc, the only side product observed was acetanilide. No phenylboronic acid pinacol ester were seen in the gc unless very strong solutions were employed. [00243] The crude product was isolated by removing the amine salt from the solution at room temp. The excess pinacolborane was destroyed with dry methanol. After reducing the volume of the reaction solution, the product was precipitated with petroleum ether. The dark coloured impurity in the product was removed by passing a solution of the product in toluene through a short column of Merck type 9385.1000 silica gel 60. The product was obtained as a white solid, mp>162 C. from toluene. [00244] The presence of borane methyl sulfide complex in these reactions does not stop the reaction from progressing. It can retard rate of the reaction somewhat but indications are that it can retard, especially with certain substrate, the dehalogenation reaction to a greater extent than the boronation reaction and so lead to an increase in product yield.
  • 2
  • [ 622-50-4 ]
  • [ 73183-34-3 ]
  • [ 214360-60-8 ]
YieldReaction ConditionsOperation in experiment
50% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 100℃; for 4h;Inert atmosphere; To a stirred solution of CI (300 mg, 1.14 mmol) in DMSO (15 mL) under inert atmosphere were added bis(pinacalato)diboron (321 mg, 1.26 mmol) and fused potassium acetate (338 mg, 3.44 mmol) at RT. The reaction was purged with argon for 30 min. Then Pd(dppf)2Cl2 (84 mg, 0.11 mmol) was added to the reaction mixture and the reaction was heated to 100 C and stirred for 4 h. After complete consumption of the starting material, the reaction mass was cooled to RT, was diluted with water (20 mL), and was extracted with EtOAc (2x20 mL). The combined organic extracts were washed with water (20 mL), dried over sodium sulfate, filtered and concentrated under reduced pressure to obtain the crude. The crude was purified by silica gel column chromatography (5% MeOH/CH2Cl2) to afford CJ (150 mg, 50%) as a brown solid. *H NMR (500 MHz, CDC13): delta 7.76 (d, J = 8.0 Hz, 2H), 7.51 (d, J = 8.0 Hz, 2H), 7.17 (br s, 1H), 2.18 (s, 3H), 1.33 (s, 12H). MS (ESI): m/z 262 [M+l]+
  • 3
  • [ 56525-79-2 ]
  • [ 622-50-4 ]
  • C32H24N2O [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 622-50-4 ]

Aryls

Chemical Structure| 385425-15-0

[ 385425-15-0 ]

1-(4-Iodophenyl)piperidin-2-one

Similarity: 0.80

Chemical Structure| 60577-34-6

[ 60577-34-6 ]

4-Iodo-N-methylaniline

Similarity: 0.76

Chemical Structure| 2050-85-3

[ 2050-85-3 ]

N,N'-(1,2-Phenylene)diacetamide

Similarity: 0.74

Chemical Structure| 34801-09-7

[ 34801-09-7 ]

N-(2-Aminophenyl)acetamide

Similarity: 0.74

Chemical Structure| 698-70-4

[ 698-70-4 ]

4-Iodo-N,N-dimethylaniline

Similarity: 0.74

Amides

Chemical Structure| 927870-76-6

[ 927870-76-6 ]

5-Iodo-6-methylpyridin-2(1H)-one

Similarity: 0.83

Chemical Structure| 385425-15-0

[ 385425-15-0 ]

1-(4-Iodophenyl)piperidin-2-one

Similarity: 0.80

Chemical Structure| 2050-85-3

[ 2050-85-3 ]

N,N'-(1,2-Phenylene)diacetamide

Similarity: 0.74

Chemical Structure| 34801-09-7

[ 34801-09-7 ]

N-(2-Aminophenyl)acetamide

Similarity: 0.74

Chemical Structure| 1173707-01-1

[ 1173707-01-1 ]

N-(5-Fluoro-2-iodophenyl)acetamide

Similarity: 0.74

Amines

Chemical Structure| 60577-34-6

[ 60577-34-6 ]

4-Iodo-N-methylaniline

Similarity: 0.76

Chemical Structure| 2050-85-3

[ 2050-85-3 ]

N,N'-(1,2-Phenylene)diacetamide

Similarity: 0.74

Chemical Structure| 34801-09-7

[ 34801-09-7 ]

N-(2-Aminophenyl)acetamide

Similarity: 0.74

Chemical Structure| 698-70-4

[ 698-70-4 ]

4-Iodo-N,N-dimethylaniline

Similarity: 0.74

Chemical Structure| 1173707-01-1

[ 1173707-01-1 ]

N-(5-Fluoro-2-iodophenyl)acetamide

Similarity: 0.74

; ;