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. 207290-72-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 207290-72-0
Chemical Structure| 207290-72-0
Structure of 207290-72-0 * 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 [ 207290-72-0 ]

Related Doc. of [ 207290-72-0 ]

Alternatived Products of [ 207290-72-0 ]
Product Citations

Product Details of [ 207290-72-0 ]

CAS No. :207290-72-0 MDL No. :MFCD03425728
Formula : C10H13NO2S Boiling Point : -
Linear Structure Formula :- InChI Key :QGNLQHONMNFZJP-UHFFFAOYSA-N
M.W : 211.28 Pubchem ID :2763540
Synonyms :

Calculated chemistry of [ 207290-72-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 60.32
TPSA : 68.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 1.14
Log Po/w (MLOGP) : 0.51
Log Po/w (SILICOS-IT) : 2.45
Consensus Log Po/w : 1.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.37
Solubility : 0.91 mg/ml ; 0.00431 mol/l
Class : Soluble
Log S (Ali) : -2.78
Solubility : 0.35 mg/ml ; 0.00166 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.54
Solubility : 6.08 mg/ml ; 0.0288 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.72

Safety of [ 207290-72-0 ]

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

Application In Synthesis of [ 207290-72-0 ]

* 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.

  • Upstream synthesis route of [ 207290-72-0 ]

[ 207290-72-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 5382-16-1 ]
  • [ 4701-17-1 ]
  • [ 207290-72-0 ]
YieldReaction ConditionsOperation in experiment
71% Reflux 5-Bromothiophene-2-carboxaldehyde was placed in a reactor, and water was added thereto. 4-Hydroxypiperidine (3 eq) was added to the reactor, and the mixture was stirred for tens of minutes or overnight under reflux. Immediately after completion of reaction, the reaction mixture was filtered through filter paper, and the filtrate was cooled for tens of minutes with a flow of water and then for several hours with ice. The precipitated crystals were recovered through filtration under suction and washed with cold water. The crystals were dried and dissolved in chloroform. The chloroform solution was dried over sodium sulfate anhydrate, and the dried solution was filtered through a silica gel pad. The filtrate was washed with chloroform until the color thereof became faint. The filtrate was concentrated under reduced pressure until the start of crystallization. n-Hexane was added to the mixture, and stirring was performed overnight at room temperature. The formed crystals were recovered through filtration, washed with n-hexane, and dried under reduced pressure, to thereby yield 5-(4-hydroxypiperidin-1-yl)-thiophene-2-carboxaldehyde. By use of 5-bromothiophene-2-carboxaldehyde (42.30 g) and 4-hydroxypiperidine (67.30 g), amine incorporation was performed according to Production Step 1, to thereby yield 5-(4-hydroxy-piperidin-1-yl)-thiophene-2-carboxaldehyde (yield: 33.00 g, 71percent). The thus-produced 5-(4-hydroxy-piperidin-1-yl)-thiophene-2-carboxaldehyde (10.56 g) and 3,4-dimethoxybenzyl cyanide (8.86 g) were subjected to condensation according to Production Step 2, to thereby yield (Z)-2-(3,4-dimethoxy-phenyl)-3-[5-(4-hydroxy-piperidin-1-yl)-thiophen-2-yl]-acrylonitrile (yield: 13.50 g, 73percent). The thus-produced (Z)-2-(3,4-dimethoxy-phenyl)-3-[5-(4-hydroxy-piperidin-1-yl)-thiophen-2-yl]-acrylonitrile (20.00 g) was dissolved in chloroform (650 mL), and the solution was reacted with pyridine (6.41 g) and bromoacetyl bromide (14.13 g) according to Production Step 3 (Method A), to thereby yield bromo-acetic acid 1-[5-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-thiophen-2-yl]-piperidin-4-yl ester (yield: 23.00 g, 87percent). The thus-produced bromo-acetic acid 1-[5-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-thiophen-2-yl]-piperidin-4-yl ester (2.30 g) was dissolved in chloroform (100 mL), and the solution was reacted with piperidine (533 mg) and triethylamine (658 mg) according to Production Step 4, to thereby yield the title compound (yield: 1.40 g, 60percent).
Reference： [1] Synlett, 1998, # 4, p. 383 - 384
[2] Synthetic Communications, 2000, vol. 30, # 8, p. 1359 - 1364
[3] Patent: EP2218719, 2010, A1, . Location in patent: Page/Page column 7-8
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 207290-72-0 ]

Aldehydes

Chemical Structure| 24372-46-1

[ 24372-46-1 ]

5-(Dimethylamino)thiophene-2-carbaldehyde

Similarity: 0.75

Chemical Structure| 4521-33-9

[ 4521-33-9 ]

5-Nitrothiophene-2-carboxaldehyde

Similarity: 0.54

Alcohols

Chemical Structure| 116539-55-0

[ 116539-55-0 ]

(S)-(-)-3-(N-Methylamino)-1-(2-thienyl)-1-propanol

Similarity: 0.51

Chemical Structure| 116539-57-2

[ 116539-57-2 ]

(R)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

Similarity: 0.51

; ;