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. 20637-09-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 20637-09-6
Chemical Structure| 20637-09-6
Structure of 20637-09-6 * 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 [ 20637-09-6 ]

Related Doc. of [ 20637-09-6 ]

Alternatived Products of [ 20637-09-6 ]
Product Citations

Product Details of [ 20637-09-6 ]

CAS No. :20637-09-6 MDL No. :MFCD07366753
Formula : C11H15NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :CLKHQWJXESOLCJ-UHFFFAOYSA-N
M.W : 193.24 Pubchem ID :88628
Synonyms :

Calculated chemistry of [ 20637-09-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 5
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 56.33
TPSA : 52.32 ?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) : -5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.12
Log Po/w (XLOGP3) : 2.09
Log Po/w (WLOGP) : 1.77
Log Po/w (MLOGP) : 1.96
Log Po/w (SILICOS-IT) : 2.04
Consensus Log Po/w : 2.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.34
Solubility : 0.879 mg/ml ; 0.00455 mol/l
Class : Soluble
Log S (Ali) : -2.82
Solubility : 0.293 mg/ml ; 0.00152 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.33
Solubility : 0.09 mg/ml ; 0.000466 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.28

Safety of [ 20637-09-6 ]

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 [ 20637-09-6 ]

* 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 [ 20637-09-6 ]

[ 20637-09-6 ] Synthesis Path-Downstream   1~21

  • 1
  • [ 75-21-8 ]
  • [ 20637-09-6 ]
  • [ 305-03-3 ]
  • 2
  • [ 20637-02-9 ]
  • [ 20637-09-6 ]
YieldReaction ConditionsOperation in experiment
88% With hydrogen;palladium on activated charcoal; In methanol; for 3h; b) Methyl 4-(4-aminophenyl)butanoateA suspension of methyl 4-(4-nitrophenyl)butanoate (3.05 g, 13.67 mmol) and Pd/C (1.0 g, 10percent Pd on activated C, 1.09 mmol) in MeOH (40 ml_) was stirred under H2 atmosphere (balloon) for 3 h. The reaction mixture was filtered through Celite (washing with EtOAc). Solvent was concentrated off, to furnish 2.33 g of methyl 4-(4-aminophenyl)butanoate (brown solid, yield: 88percent). It was submitted to next step without purification.1H NMR (CDCI3, 250 MHz) delta ppm: 6.96 (d, J = 8.5 Hz, 2H), 6.63 (d, J = 8.2 Hz, 2H), 3.66 (s, 3H), 2.55 (t, J = 7.6 Hz, 2H), 2.31 (t, J = 7.7 Hz, 2H), 1.90 (q, J = 7.6 Hz, 2H).
  • 3
  • [ 20637-09-6 ]
  • [ 75-56-9 ]
  • [ 55774-31-7 ]
  • 4
  • [ 20637-09-6 ]
  • [ 544-92-3 ]
  • [ 20637-03-0 ]
  • 6
  • [ 1943-83-5 ]
  • [ 20637-09-6 ]
  • [ 113849-33-5 ]
  • 7
  • [ 20637-09-6 ]
  • [ 55661-43-3 ]
  • methyl 4-3-nitroso>ureido>phenyl>butyrate [ No CAS ]
  • 8
  • [ 20637-09-6 ]
  • [ 1208-03-3 ]
  • 4-<γ-(methoxycarbonyl)propyl>-N-<p-<bis-(β'-chlorethyl)amino>>benzylideneaniline [ No CAS ]
  • 9
  • [ 20637-09-6 ]
  • [ 624-65-7 ]
  • [ 101248-43-5 ]
  • 10
  • [ 6552-57-4 ]
  • [ 20637-09-6 ]
  • C15H15(2)H8NO4 [ No CAS ]
  • 11
  • [ 198544-23-9 ]
  • [ 20637-09-6 ]
YieldReaction ConditionsOperation in experiment
The material so obtained was dissolved in a mixture of methanol (200 ml) and water (100 ml) and heated to reflux on a steam bath. Ferrous sulphate heptahydrate (11.71 g) and iron powder (34.0 g) were added and the mixture was heated to reflux for 6 hours. The solution was filtered whilst hot. Methanol was evaporated from the filtrate and the residual aqueous layer was extracted with ethyl acetate. The combined organic extracts were dried and evaporated to give a residue which was purified by column chromatography on silica gel using methylene chloride as eluent. There was thus obtained methyl 4-(4-aminophenyl)butyrate (6.22 g).
  • 14
  • [ 20637-09-6 ]
  • [ 330955-07-2 ]
  • 4-{4-[2-((2S,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-phenyl}-butyric acid methyl ester [ No CAS ]
  • 15
  • [ 67-56-1 ]
  • [ 15118-60-2 ]
  • [ 20637-09-6 ]
YieldReaction ConditionsOperation in experiment
96% With sulfuric acid; for 1.5h;Reflux; A 250-mL round bottom flask was charged with 4-(4-aminophenyl)butyric acid (2.00 g, 11.2 mmol) in methanol (50 mL) and treated with cone, sulfuric acid (1 mL). The resultant mixture was heated to reflux for 1.5 h. After this time, methanol (-25 mL) was distilled off. The reaction was cooled to 60 °C and methyl tert-butyl ether was added. The mixture was allowed to slowly cool to room temperature, then diluted with hexanes (50 mL) to afford a white solid. The solid was dissolved in THF (6 mL)/water (4 mL) and treated with cone. NH4OH (6 mL). The mixture was diluted with dichloromethane (50 mL) and the layers separated. The organic layer was washed with saturated sodium chloride (5 mL), dried over sodium sulfate, filtered and concentrated under reduced pressure to afford the title compound (2.07 g, 96percent) as a brown solid. MW = 193.24. ]H NMR (DMSO-i, 500 MHz) delta 6.83-6.79 (m, 2H), 6.50-6.46 (m, 2H), 4.81 (s, 2H), 3.57 (s, 3H), 2.39 (t, J = 7.5 Hz, 2H), 2.25 (t, 7 = 7.5 Hz, 2H), 1.73 (quin, / = 7.5 Hz, 2H).
70% With thionyl chloride; In methanol; at 0 - 80℃; for 16h; Synthesis of cyanoamine 28Preparation of methyl 4-(4-aminophenyl)butanoate 27.[00200] To a mixture of compound 26 (0.92 g, 5.13 mmol) in CH30H (20 mL) was added dropwise thionyl chloride (1.9 mL , 25.7 mmol) at OoC with stirring. After addition, the reaction mixture was stirred at 80 oC for 16 h, concentrated in vacuo. The residue was diluted with aqNaHC03, and extracted with ethyl acetate. The combined organic layers were washed with brine, dried over Na2S04 and concentrated to dryness to give compound 27 (0.7 g, 70percent) as a light yellow solid. 1H NMR (400 MHz, CDC13) 56.97 (d, 2H, J=8.3 Hz), 6.64 (d, 2H, J=8.3 Hz), 3.68 (br s, 2H), 3.66(s, 3H), 2.54 (t, 2H, J=7.4 Hz), 2.3 l(t, 2H, J=7.4 Hz), 1.85- 1.95(m, 2H).
  • 16
  • [ 20637-09-6 ]
  • [ 98-09-9 ]
  • 4-(4-benzenesulfonylamino-phenyl)-butyric acid methyl ester [ No CAS ]
  • 17
  • [ 20637-09-6 ]
  • [ 418771-11-6 ]
  • 4-{4-[2-((3aR,4S,5aR,9aR,9bR)-2,2,8,8-Tetramethyl-hexahydro-[1,3]dioxolo[4',5':4,5]pyrano[3,2-d][1,3]dioxin-4-yl)-acetylamino]-phenyl}-butyric acid methyl ester [ No CAS ]
  • 18
  • [ 54299-16-0 ]
  • [ 20637-09-6 ]
  • methyl 4-{4-[bis(2-hydroxy-[1,2-14C]ethyl)amino]phenyl}butyrate [ No CAS ]
  • 19
  • [ 20637-09-6 ]
  • [ 22921-68-2 ]
  • [ 852068-07-6 ]
  • 20
  • [ 20637-09-6 ]
  • [ 144069-67-0 ]
  • [ 338463-31-3 ]
  • 21
  • [ 20637-09-6 ]
  • [ 583886-17-3 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 20637-09-6 ]

Aryls

Chemical Structure| 35418-07-6

[ 35418-07-6 ]

Methyl 3-(4-aminophenyl)propanoate

Similarity: 1.00

Chemical Structure| 91012-19-0

[ 91012-19-0 ]

Methyl 3-(4-aminophenyl)propanoate hydrochloride

Similarity: 0.98

Chemical Structure| 850449-93-3

[ 850449-93-3 ]

Methyl 2-(5-amino-2-methylphenyl)acetate

Similarity: 0.96

Chemical Structure| 52913-11-8

[ 52913-11-8 ]

Methyl 2-(3-aminophenyl)acetate

Similarity: 0.91

Chemical Structure| 35613-44-6

[ 35613-44-6 ]

Methyl 2-(2-aminophenyl)acetate

Similarity: 0.89

Esters

Chemical Structure| 35418-07-6

[ 35418-07-6 ]

Methyl 3-(4-aminophenyl)propanoate

Similarity: 1.00

Chemical Structure| 91012-19-0

[ 91012-19-0 ]

Methyl 3-(4-aminophenyl)propanoate hydrochloride

Similarity: 0.98

Chemical Structure| 850449-93-3

[ 850449-93-3 ]

Methyl 2-(5-amino-2-methylphenyl)acetate

Similarity: 0.96

Chemical Structure| 52913-11-8

[ 52913-11-8 ]

Methyl 2-(3-aminophenyl)acetate

Similarity: 0.91

Chemical Structure| 35613-44-6

[ 35613-44-6 ]

Methyl 2-(2-aminophenyl)acetate

Similarity: 0.89

Amines

Chemical Structure| 35418-07-6

[ 35418-07-6 ]

Methyl 3-(4-aminophenyl)propanoate

Similarity: 1.00

Chemical Structure| 91012-19-0

[ 91012-19-0 ]

Methyl 3-(4-aminophenyl)propanoate hydrochloride

Similarity: 0.98

Chemical Structure| 850449-93-3

[ 850449-93-3 ]

Methyl 2-(5-amino-2-methylphenyl)acetate

Similarity: 0.96

Chemical Structure| 52913-11-8

[ 52913-11-8 ]

Methyl 2-(3-aminophenyl)acetate

Similarity: 0.91

Chemical Structure| 35613-44-6

[ 35613-44-6 ]

Methyl 2-(2-aminophenyl)acetate

Similarity: 0.89

; ;