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. 38430-55-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 38430-55-6
Chemical Structure| 38430-55-6
Structure of 38430-55-6 * 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 [ 38430-55-6 ]

Related Doc. of [ 38430-55-6 ]

Alternatived Products of [ 38430-55-6 ]
Product Citations

Product Details of [ 38430-55-6 ]

CAS No. :38430-55-6 MDL No. :MFCD00013241
Formula : C11H12O3 Boiling Point : -
Linear Structure Formula :- InChI Key :GLOAPLPTWAXAIG-UHFFFAOYSA-N
M.W : 192.21 Pubchem ID :600911
Synonyms :

Calculated chemistry of [ 38430-55-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.27
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.72
TPSA : 43.37 ?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) : -6.12 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.27
Log Po/w (XLOGP3) : 1.9
Log Po/w (WLOGP) : 2.07
Log Po/w (MLOGP) : 1.88
Log Po/w (SILICOS-IT) : 2.43
Consensus Log Po/w : 2.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.28
Solubility : 1.0 mg/ml ; 0.00523 mol/l
Class : Soluble
Log S (Ali) : -2.43
Solubility : 0.708 mg/ml ; 0.00368 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.22
Solubility : 0.117 mg/ml ; 0.000607 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.37

Safety of [ 38430-55-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 38430-55-6 ]

* 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 [ 38430-55-6 ]

[ 38430-55-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 38430-55-6 ]
  • [ 107751-31-5 ]
YieldReaction ConditionsOperation in experiment
99% With sodium tetrahydroborate; ethanol; for 2h;Reflux; Ethyl-4-acetylbenzoate (550 mg, 2.86 mmol) was dissolved in ethanol (13 mL) and treated with sodium borohydride (10% on basic alumina, 300 mg). This suspension was heated to reflux for 2 hrs, then cooled to room temperature and filtered. The ethanol was removed by rotary evaporation; the residue was taken up in ethyl acetate and washed sequentially with IN HCl and brine, and dried over sodium sulfate. The solvent was removed under reduced pressure to yield racemic 4-(l-hydroxy-ethyl)-benzoic acid methyl ester as a colorless oil, 549 mg (99%). 1H NMR (300 MHz, CDCl3): 58.02 (d, J= 8.0 Hz, 2 H), 7.42 (d, J= 8.0 Hz, 2 H), 4.94 (q, J= 6.5 Hz, 1 H), 4.36 (q, J= 6.5 Hz, 2 H), 1.51 (d, J = 8.5 Hz, 3 H), 1.37 (t, J= 7.3 Hz, 3 H). LC-MS m/z = 195 [C10H12O3 + H]+.
99% With Na(1+)*C12H33AlNO4Si2(1-); In tetrahydrofuran; toluene; at 0℃; for 1h;Inert atmosphere; General procedure: A dry and argon-flushed flask, equipped with a magnetic stirring bar and septum, was charged with 4-acetylbenzaldehyde (1.0 mmol) and THF (10 mL). After cooling to 0 C, the modified Red-Al (0.5 M, 2.2 mL in THF) was added dropwise and the mixture was stirred for 1 h at 0 C. The reaction was quenched with 1 N aqueous HCl (10 mL) and the product was extracted with diethylether (10 mL). The organic layer was dried over anhydrous magnesium sulfate, the solvent was removed under reduced pressure and the crude residue was purified by column chromatography (SiO2, ethyl acetate/hexane, 1:5 v/v) to affording the desired alcohol (123 mg, 83% yield).
88% With potassium diisobutyl-tert-butoxyaluminum hydride; In tetrahydrofuran; at 0℃; for 1h;Inert atmosphere; General procedure: A dry and argon-flushed flask, equipped with a magnetic stirring bar and a septum, was charged with dicarbonyl compound (1.0 mmol) and 10 mL THF. After cooling to 0C, PDBBA (1.3 mmol) was added dropwise and stirred for 1h at same temperature. The reaction was stopped by the aqueous 1N HCl (10mL) and extracted with diethyl ether (2×10mL). The combined organic layers were dried over MgSO4, filtered and concentrated under reduced pressure. Purification of the residue by column chromatography on silica gel afforded the desired product.
  • 2
  • [ 36207-13-3 ]
  • [ 38430-55-6 ]
  • 3
  • [ 38430-55-6 ]
  • [ 122-51-0 ]
  • [ 408334-85-0 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 38430-55-6 ]

Aryls

Chemical Structure| 21860-07-1

[ 21860-07-1 ]

Methyl 3-acetylbenzoate

Similarity: 0.95

Chemical Structure| 3609-53-8

[ 3609-53-8 ]

Methyl 4-acetylbenzoate

Similarity: 0.95

Chemical Structure| 103935-10-0

[ 103935-10-0 ]

Ethyl 2-acetylbenzoate

Similarity: 0.94

Chemical Structure| 105580-41-4

[ 105580-41-4 ]

tert-Butyl 4-acetylbenzoate

Similarity: 0.94

Chemical Structure| 73013-51-1

[ 73013-51-1 ]

Ethyl 4-(2-oxopropyl)benzoate

Similarity: 0.93

Esters

Chemical Structure| 21860-07-1

[ 21860-07-1 ]

Methyl 3-acetylbenzoate

Similarity: 0.95

Chemical Structure| 3609-53-8

[ 3609-53-8 ]

Methyl 4-acetylbenzoate

Similarity: 0.95

Chemical Structure| 103935-10-0

[ 103935-10-0 ]

Ethyl 2-acetylbenzoate

Similarity: 0.94

Chemical Structure| 105580-41-4

[ 105580-41-4 ]

tert-Butyl 4-acetylbenzoate

Similarity: 0.94

Chemical Structure| 73013-51-1

[ 73013-51-1 ]

Ethyl 4-(2-oxopropyl)benzoate

Similarity: 0.93

Ketones

Chemical Structure| 21860-07-1

[ 21860-07-1 ]

Methyl 3-acetylbenzoate

Similarity: 0.95

Chemical Structure| 3609-53-8

[ 3609-53-8 ]

Methyl 4-acetylbenzoate

Similarity: 0.95

Chemical Structure| 103935-10-0

[ 103935-10-0 ]

Ethyl 2-acetylbenzoate

Similarity: 0.94

Chemical Structure| 105580-41-4

[ 105580-41-4 ]

tert-Butyl 4-acetylbenzoate

Similarity: 0.94

Chemical Structure| 73013-51-1

[ 73013-51-1 ]

Ethyl 4-(2-oxopropyl)benzoate

Similarity: 0.93

; ;