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. 609-08-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 609-08-5
Chemical Structure| 609-08-5
Structure of 609-08-5 * 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 [ 609-08-5 ]

Related Doc. of [ 609-08-5 ]

Alternatived Products of [ 609-08-5 ]
Product Citations

Product Citations

Jan Nowak ; Micha? Tryniszewski ; Micha? Barbasiewicz DOI:

Abstract: Heteroatom-based olefinating reagents (e.g., organic phosphonates, sulfonates, etc.) are used to transform carbonyl compounds into alkenes, and their mechanism of action involves aldol-type addition, cyclization, and fragmentation of four-membered ring intermediates. We have developed an analogous process using ethyl 1,1,1,3,3,3-hexafluoroisopropyl methylmalonate, which converts electrophilic aryl aldehydes into α-methylcinnamates in up to 70% yield. The reaction plausibly proceeds through the formation of β-lactone that spontaneously decarboxylates under the reaction conditions. The results shed light on the Knoevenagel–Doebner olefination, for which decarboxylative anti-fragmentation of aldol-type adducts is usually considered.

Keywords: olefination ; carbonyl compounds ; reaction mechanism ; lactones ; malonates ; Knoevenagel ; Doebner reaction

Purchased from AmBeed: ; ; ; ; ; ;

Product Details of [ 609-08-5 ]

CAS No. :609-08-5 MDL No. :MFCD00009162
Formula : C8H14O4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UPQZOUHVTJNGFK-UHFFFAOYSA-N
M.W : 174.19 Pubchem ID :11857
Synonyms :

Calculated chemistry of [ 609-08-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.14
TPSA : 52.6 ?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) : -6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.36
Log Po/w (XLOGP3) : 1.44
Log Po/w (WLOGP) : 0.75
Log Po/w (MLOGP) : 0.93
Log Po/w (SILICOS-IT) : 1.0
Consensus Log Po/w : 1.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.43
Solubility : 6.45 mg/ml ; 0.0371 mol/l
Class : Very soluble
Log S (Ali) : -2.15
Solubility : 1.23 mg/ml ; 0.00708 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.27
Solubility : 9.25 mg/ml ; 0.0531 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 609-08-5 ]

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

Application In Synthesis of [ 609-08-5 ]

* 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 [ 609-08-5 ]

[ 609-08-5 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 6296-99-7 ]
  • [ 609-08-5 ]
  • 2
  • [ 1001-26-9 ]
  • [ 609-08-5 ]
  • [ 7504-67-8 ]
  • 3
  • [ 5221-62-5 ]
  • [ 609-08-5 ]
  • [ 5221-60-3 ]
  • 4
  • [ 609-08-5 ]
  • [ 75-26-3 ]
  • [ 14287-61-7 ]
  • 5
  • [ 3437-95-4 ]
  • [ 201230-82-2 ]
  • [ 609-08-5 ]
  • [ 704-38-1 ]
  • [ 14313-93-0 ]
  • [ 109572-61-4 ]
  • 6
  • [ 2106-50-5 ]
  • [ 609-08-5 ]
  • [ 26039-74-7 ]
  • 7
  • [ 104-21-2 ]
  • [ 609-08-5 ]
  • [ 105372-24-5 ]
  • 8
  • [ 609-08-5 ]
  • [ 103347-14-4 ]
  • C13H17ClO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Step 16B : Compound 16b; Diethyl methylmalonate (1.37 mL, 8.7 mmol) was added dropwise to suspension of NaH (60% in oil, 348 mg, 8.7 mol) in THF (20 mL). The generation off : was visible. The mixture was stirred for 0.5 h at room temperature and a solution of 16a (2.16 g, 9.2 mmol) in 10 mL THF and NaI (catalytic amount) was added. The reaction mixture was stirred overnight and then was worked up by adding H20 and extracting with Et2O twice. The combined organic layers were washed with brine, dried overNa2SO4, and concentrated to give a clear oil which was dissolved in 5 mL THF. MeOH (5 mL) and NaOH (2N, 20 mL) were added to the solution and the mixture was heated at 80 C for 4 h. After cooling, the mixture was extracted with Et2O and the aqueous solution was acidified using 6 N HC1. The solution was extracted with EtOAc three times. The organic layers were combined and washed with brine, dried over Na2SO4, filtered, and concentrated. The crude material was trituated with hexane to afford 16b as a white solid (885 mg, 3.86 mmol).
  • 9
  • [ 57297-29-7 ]
  • [ 609-08-5 ]
  • [ 870089-70-6 ]
YieldReaction ConditionsOperation in experiment
Example 16 Synthesis of 2-methyl-5-cyclopropyl-4,6-dihydroxy-pyrimidine A single-necked flask containing 80 ml of ethanol is cooled down to 0° C. using an ice bath, 4.5 g (66.4 mmoles) of sodium ethylate and 4 g (33.2 mmoles) of cyclopropyl-carbamidine hydrochloride are added. The reaction mixture is left to return to ambient temperature, then 5.7 ml (33.2 mmoles) of diethyl ester methylmalonate is added dropwise. Stirring is maintained at ambient temperature overnight. The ethanol is then condensed under reduced pressure (2 kPa). The crude product obtained is solubilized in a minimum amount of water (approximately 40 ml), then acidified at 0° C. with pure acetic acid until a pH comprised between 4 and 5 is achieved. The white precipitate formed is filtered, rinsed successively with water, ethyl ether and with pentane. Then the white powder obtained is dried over P2O5 under reduced pressure (0.2 kPa). 3 g of expected product is obtained. TLC: Rf=0.36 (silica gel, eluent: dichloromethane-methanol 90-10). MS: (MH+)=167, (MH-)=165 1H-NMR (DMSOd6): delta 0.95 (m, 4H, cyclopropyl); 1.67 (s, 3H, N=C-CH3); 1.83 (m, 1H, cyclopropyl).
  • 10
  • [ 3460-18-2 ]
  • [ 609-08-5 ]
  • [ 90725-50-1 ]
YieldReaction ConditionsOperation in experiment
4.9 g Sodium hydride (3.9 g) was suspended in dimethyl sulfoxide (24 mL), and diethyl methyl malonate (16 mL) was added at 0C, and then the reaction mixture was stirred at room temperature for 1.5 hours. The reaction mixture was heated to 100C, and a solution of 2,5-dibromonitrobenzene (15.3 g) in dimethyl sulfoxide (17 mL) was added at 100C, and then the reaction mixture was stirred at 100C for 5 hours. The reaction mixture was quenched with water, and extracted with ethyl acetate. The obtained organic layer was washed with brine, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure. The residue was dissolved in ethanol (75 mL), and tin (11.5 g) was added at room temperature. Concentrated hydrochloric acid (45 mL) was added at 0C, and then the reaction mixture was heated at reflux for 2 hours. After cooling to room temperature, the reaction mixture was quenched with water, and extracted with ethyl acetate. The obtained organic layer was washed with a saturated aqueous solution of sodium hydrogen carbonate and brine, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography to give the titled compound (4.9 g) as a brown solid. 1H-NMR (400 MHz, CDCl3) delta: 8.48 (1H, brs), 7.17 (1H, dd, J= 7.9, 1.3 Hz), 7.08 (1H, d, J = 7.9 Hz), 7.07 (1H, s), 3.41 (1H, q, J = 7.8 Hz), 1.48 (3H, d, J = 7.8 Hz). ESI-MS found: 226 [M+H]+
  • 11
  • [ 54288-70-9 ]
  • [ 609-08-5 ]
  • 2-methyl(4-piperidinyl)malonic acid diethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
32.78% With potassium carbonate; In acetonitrile; at 40 - 60℃; Take 69.6g (0.4mol) of 2-methyl-malonic acid diethyl ester in a three-necked flask, add 55.2g (0.4mol) of anhydrous K2CO3 and stir with 500ml of acetonitrile.Another 4-bromopiperidine hydrobromic acid solution (containing 4-bromopiperidine 160.0g) was added to the reaction mixture, the oil bath heated to 40 ~ 60 ° C for 2-6h, insoluble matter was filtered off,The filtrate was drained and then dissolved in 1000 ml of ethyl acetate, washed with saturated aqueous NaCl (250 ml × 3 times) and the organic layer was dried over anhydrous magnesium sulfate overnight.The pump was depressurized to remove the solvent to obtain 105.1 g of yellowish reddish-brown transparent substance, which was purified by column chromatography to obtain 33.7 g of pure product in a yield of 32.78percent.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 609-08-5 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 6279-86-3

[ 6279-86-3 ]

Triethyl methanetricarboxylate

Similarity: 1.00

Chemical Structure| 5471-77-2

[ 5471-77-2 ]

3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

Similarity: 0.96

Chemical Structure| 1619-62-1

[ 1619-62-1 ]

Diethyl 2,2-dimethylmalonate

Similarity: 0.96

Chemical Structure| 20605-01-0

[ 20605-01-0 ]

Diethyl 2,2-bis(hydroxymethyl)malonate

Similarity: 0.96

Chemical Structure| 80370-42-9

[ 80370-42-9 ]

Ethyl 2-formyl-3-oxopropanoate

Similarity: 0.96

Esters

Chemical Structure| 6279-86-3

[ 6279-86-3 ]

Triethyl methanetricarboxylate

Similarity: 1.00

Chemical Structure| 5471-77-2

[ 5471-77-2 ]

3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

Similarity: 0.96

Chemical Structure| 1619-62-1

[ 1619-62-1 ]

Diethyl 2,2-dimethylmalonate

Similarity: 0.96

Chemical Structure| 20605-01-0

[ 20605-01-0 ]

Diethyl 2,2-bis(hydroxymethyl)malonate

Similarity: 0.96

Chemical Structure| 80370-42-9

[ 80370-42-9 ]

Ethyl 2-formyl-3-oxopropanoate

Similarity: 0.96

; ;