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. 2393-17-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2393-17-1
Chemical Structure| 2393-17-1
Structure of 2393-17-1 * 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 [ 2393-17-1 ]

Related Doc. of [ 2393-17-1 ]

Alternatived Products of [ 2393-17-1 ]
Product Citations

Product Details of [ 2393-17-1 ]

CAS No. :2393-17-1 MDL No. :MFCD00017118
Formula : C9H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :WXOHKMNWMKZMND-UHFFFAOYSA-N
M.W : 165.19 Pubchem ID :75451
Synonyms :
Chemical Name :3-(4-Aminophenyl)propionic acid

Calculated chemistry of [ 2393-17-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.2
TPSA : 63.32 ?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) : -6.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.08
Log Po/w (XLOGP3) : 0.83
Log Po/w (WLOGP) : 1.29
Log Po/w (MLOGP) : 1.37
Log Po/w (SILICOS-IT) : 1.16
Consensus Log Po/w : 1.15

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.56
Solubility : 4.56 mg/ml ; 0.0276 mol/l
Class : Very soluble
Log S (Ali) : -1.74
Solubility : 2.99 mg/ml ; 0.0181 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.21
Solubility : 1.01 mg/ml ; 0.00612 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 2393-17-1 ]

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 [ 2393-17-1 ]

* 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 [ 2393-17-1 ]

[ 2393-17-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 2393-17-1 ]
  • [ 35418-07-6 ]
  • 2
  • [ 186581-53-3 ]
  • [ 2393-17-1 ]
  • [ 35418-07-6 ]
  • 3
  • [ 67-56-1 ]
  • [ 2393-17-1 ]
  • [ 35418-07-6 ]
YieldReaction ConditionsOperation in experiment
99% Under ice-cooling, thionyl chloride (15 mL, 206 mmol) was added dropwise to methanol (60 mL), and the mixture was stirred for 10 min. 3-(4-Aminophenyl)propanoic acid (10.1 g, 61.1 mmol) was added to the reaction mixture, and the mixture was stirred at room temperature for 18 hr. The solvent and excess thionyl chloride were evaporated under reduced pressure, and water and saturated aqueous sodium hydrogencarbonate were added. The mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The obtained solid was washed with hexane to give the title compound (10.9 g, yield 99%) as pale-brown prism crystals. MS m/z 180 (MH+).
98% Thionyl chloride (Aldrich, 4.08 g, 2.5 ml, 34.3 mmol) was added dropwise to anhydrous MeOH (10mL) in ice-water-salt bath. After 20 min, 3-(4-aminophenyl)propionic acid (Trans World Chemicals, 1.7 g, 10.3 mmol) was added and the reaction mixture was allowed to stir at rt overnight. The resulting reaction mixture was concentrated in vacuo and the residue was diluted with EtOAc, washed with sat. aqueous NaHCO3, water, and brine. The organic layer was dried over Na2SO4 and concentrated in vacuo to give methyl 3-(4-aminophenyl)propanoate (1.80 g, 98%).
78% With thionyl chloride; at 0 - 20℃; for 12h; [1114] Preparation Example 67: 3-(4-amino-phenyl)-propionic acid methyl ester[1115] SOCl2 (1.5 mL) was added slowly to MeOH (6 mL) at 0 ~ 5, and the mixture was stirredfor 10 minutes. 3-(4-Amino-phenyl)-propionic acid (1 g, 6.05 mmol) was addedthereto at the same temperature. After the temperature was elevated to roomtemperature, the mixture was stirred for 12 hours. After the termination of thereaction, the reactant was concentrated under reduced pressure, added withsaturated sodium bicarbonate aqueous solution, and extracted with EtOAc. Theorganic layer was added with NaCl aqueous solution, extracted again, and thenfiltered by using celite. The filtrate was concentrated under reduced pressure.The residue was added with n-Hex, and then concentrated under reduced pressureagain. n-Hex (20 mL) was added to the obtained solid, and the mixture wasstirred under reflux for 1 hour, and then stirred at room temperature for 2hours. The mixture was filtered to obtain the title compound (0.85 g, 78%).[1116] 1H NMR (500 MHz, CDCl3)delta 6.98(d, 2H), 6.61(d, 2H), 3.65(s, 3H), 2.83(t, 2H), 2.56(t, 2H)
74% With sulfuric acid; for 24h;Reflux; General procedure: After dissolving the carboxylic acid in the alcohol, three drops of H2SO4 95% were added to the solution and the mixture was refluxed for 24 h. The solvent was evaporated under reduced pressure and water was added to the crude mixture. The pH of the aqueous layer was adjusted to 7 adding drops of a saturated solution of NaHCO3 and brine was added in the mixture. The aqueous layer was extracted three times with ethyl acetate; the organic layer was dried over Na2SO4 and the solvent was evaporated under reduced pressure yielding the final compound. Further purification step was made when it was necessary.

Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 2393-17-1 ]

Aryls

Chemical Structure| 15118-60-2

[ 15118-60-2 ]

4-(4-Aminophenyl)butanoic acid

Similarity: 1.00

Chemical Structure| 1664-54-6

[ 1664-54-6 ]

3-(3-Aminophenyl)propanoic acid

Similarity: 0.97

Chemical Structure| 1197-55-3

[ 1197-55-3 ]

4-Aminophenylacetic acid

Similarity: 0.93

Chemical Structure| 35418-07-6

[ 35418-07-6 ]

Methyl 3-(4-aminophenyl)propanoate

Similarity: 0.88

Chemical Structure| 20637-09-6

[ 20637-09-6 ]

Methyl 4-(4-aminophenyl)butanoate

Similarity: 0.88

Amines

Chemical Structure| 15118-60-2

[ 15118-60-2 ]

4-(4-Aminophenyl)butanoic acid

Similarity: 1.00

Chemical Structure| 1664-54-6

[ 1664-54-6 ]

3-(3-Aminophenyl)propanoic acid

Similarity: 0.97

Chemical Structure| 1197-55-3

[ 1197-55-3 ]

4-Aminophenylacetic acid

Similarity: 0.93

Chemical Structure| 35418-07-6

[ 35418-07-6 ]

Methyl 3-(4-aminophenyl)propanoate

Similarity: 0.88

Chemical Structure| 20637-09-6

[ 20637-09-6 ]

Methyl 4-(4-aminophenyl)butanoate

Similarity: 0.88

Carboxylic Acids

Chemical Structure| 15118-60-2

[ 15118-60-2 ]

4-(4-Aminophenyl)butanoic acid

Similarity: 1.00

Chemical Structure| 1664-54-6

[ 1664-54-6 ]

3-(3-Aminophenyl)propanoic acid

Similarity: 0.97

Chemical Structure| 1197-55-3

[ 1197-55-3 ]

4-Aminophenylacetic acid

Similarity: 0.93

Chemical Structure| 29644-97-1

[ 29644-97-1 ]

2-(4-Aminophenyl)butanoic acid

Similarity: 0.86

Chemical Structure| 705240-99-9

[ 705240-99-9 ]

2-(4-Amino-3-methylphenyl)acetic acid

Similarity: 0.86

; ;