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. 104-55-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 104-55-2
Chemical Structure| 104-55-2
Structure of 104-55-2 * 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 [ 104-55-2 ]

Related Doc. of [ 104-55-2 ]

Alternatived Products of [ 104-55-2 ]
Product Citations

Product Details of [ 104-55-2 ]

CAS No. :104-55-2 MDL No. :MFCD00007000
Formula : C9H8O Boiling Point : -
Linear Structure Formula :(C6H5)(CH)2CHO InChI Key :KJPRLNWUNMBNBZ-QPJJXVBHSA-N
M.W : 132.16 Pubchem ID :637511
Synonyms :
Chemical Name :3-Phenylacrylaldehyde

Calculated chemistry of [ 104-55-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.54
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) : -5.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.65
Log Po/w (XLOGP3) : 1.9
Log Po/w (WLOGP) : 1.79
Log Po/w (MLOGP) : 2.01
Log Po/w (SILICOS-IT) : 2.48
Consensus Log Po/w : 1.97

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.17
Solubility : 0.897 mg/ml ; 0.00679 mol/l
Class : Soluble
Log S (Ali) : -1.88
Solubility : 1.74 mg/ml ; 0.0131 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.526 mg/ml ; 0.00398 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.65

Safety of [ 104-55-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H317-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 104-55-2 ]

* 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 [ 104-55-2 ]

[ 104-55-2 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 35661-51-9 ]
  • [ 104-55-2 ]
  • [ 74105-58-1 ]
  • 2
  • [ 84-67-3 ]
  • [ 151-50-8 ]
  • [ 104-55-2 ]
  • [ 139555-30-9 ]
  • 3
  • [ 104-55-2 ]
  • [ 1569-16-0 ]
  • [ 125094-48-6 ]
  • 4
  • [ 456-14-4 ]
  • [ 104-55-2 ]
  • [ 76128-69-3 ]
YieldReaction ConditionsOperation in experiment
77% With oxygen; potassium hydroxide; In dimethyl sulfoxide; at 120℃; under 760.051 Torr; for 12h;Green chemistry; General procedure: A mixture of benzamidine hydrochloride 1a (0.25mmol), cinnamaldehyde 2a (0.30mol) and KOH (0.50mmol, 2equiv.) was stirred in DMSO (1.0mL) under 1atm O2 atmosphere at 120°C for 12h. After completion of the reaction (monitored by TLC), water (10mL) was added to the reaction mixture, and the resulting mixture was extracted with ethyl acetate. The combined organic layers were then dried over MgSO4, filtered, and then concentrated in vacuo. The residue was purified by flash chromatography on silica gel to give the desired product 3aa as a white solid (using the mixture of petroleum ether and ethyl acetate as eluents).
  • 5
  • [ 57297-29-7 ]
  • [ 104-55-2 ]
  • 2-cyclopropyl-4-phenyl-pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With oxygen; potassium hydroxide; In dimethyl sulfoxide; at 120℃; under 760.051 Torr; for 12h;Green chemistry; General procedure: A mixture of benzamidine hydrochloride 1a (0.25mmol), cinnamaldehyde 2a (0.30mol) and KOH (0.50mmol, 2equiv.) was stirred in DMSO (1.0mL) under 1atm O2 atmosphere at 120°C for 12h. After completion of the reaction (monitored by TLC), water (10mL) was added to the reaction mixture, and the resulting mixture was extracted with ethyl acetate. The combined organic layers were then dried over MgSO4, filtered, and then concentrated in vacuo. The residue was purified by flash chromatography on silica gel to give the desired product 3aa as a white solid (using the mixture of petroleum ether and ethyl acetate as eluents).
  • 6
  • [ 57497-39-9 ]
  • [ 104-55-2 ]
  • [ 109460-99-3 ]
  • 7
  • [ 78364-55-3 ]
  • [ 104-55-2 ]
  • C16H12FN3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol; at 70 - 80℃; for 3h; General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t).
  • 8
  • [ 39549-79-6 ]
  • [ 104-55-2 ]
  • 7-methyl-2-phenethylquinazolin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; In toluene; at 120℃; for 12h;Inert atmosphere; Under nitrogen atmosphere, <strong>[39549-79-6]2-amino-4-methylbenzamide</strong> (150 mg, 1 mmol), [Cp*IrCl2]2 (8 mg, 0.01 mmol, 1 molpercent), toluene (1.0 mL), cinnamaldehyde (132 mg, 1 mmol)Add to a 25 mL Schlenk reaction flask.The mixture was reacted at 120°C for 12 hours and then cooled to room temperature.The solvent was removed in vacuo under reduced pressure and then purified by column chromatography (developer: ethyl acetate/petroleum ether) to give the pure target compound, yield: 80percent.
  • 9
  • [ 5900-59-4 ]
  • [ 104-55-2 ]
  • 7-chloro-2-phenylethylquinazolin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; In toluene; at 120℃; for 12h;Inert atmosphere; Under nitrogen protection, <strong>[5900-59-4]2-amino-4-chlorobenzamide</strong> (171 mg, 1 mmol), [Cp*IrCl2]2 (8 mg, 0.01 mmol, 1 molpercent), toluene (1.0 mL), cinnamaldehyde (132 mg, 1 mmol)Add 25mL Schlenk reaction flasks one by one.The mixture was reacted at 120°C for 12 hours and then cooled to room temperature.The solvent was removed in vacuo under reduced pressure and then purified by column chromatography (developer: ethyl acetate/petroleum ether) to give the pure target compound in a yield of 86
  • 10
  • [ 15181-11-0 ]
  • [ 104-55-2 ]
  • (S)-4-(3,5-di-tert-butylphenyl)-3-phenylbutanal [ No CAS ]
  • (R)-4-(3,5-di-tert-butylphenyl)-3-phenylbutanal [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;