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. 10463-20-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10463-20-4
Chemical Structure| 10463-20-4
Structure of 10463-20-4 * 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 [ 10463-20-4 ]

Related Doc. of [ 10463-20-4 ]

Alternatived Products of [ 10463-20-4 ]
Product Citations

Product Details of [ 10463-20-4 ]

CAS No. :10463-20-4 MDL No. :MFCD00007122
Formula : C8H7NO5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QBHBHOSRLDPIHG-UHFFFAOYSA-N
M.W : 197.15 Pubchem ID :447364
Synonyms :

Calculated chemistry of [ 10463-20-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 48.83
TPSA : 103.35 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.39
Log Po/w (XLOGP3) : 1.47
Log Po/w (WLOGP) : 0.93
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : -1.05
Consensus Log Po/w : 0.35

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.11
Solubility : 1.54 mg/ml ; 0.00781 mol/l
Class : Soluble
Log S (Ali) : -3.25
Solubility : 0.112 mg/ml ; 0.000566 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.99
Solubility : 20.4 mg/ml ; 0.103 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 10463-20-4 ]

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

Application In Synthesis of [ 10463-20-4 ]

* 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 [ 10463-20-4 ]

[ 10463-20-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 186581-53-3 ]
  • [ 10463-20-4 ]
  • [ 34837-88-2 ]
  • 2
  • [ 10463-20-4 ]
  • [ 74-88-4 ]
  • [ 34837-88-2 ]
YieldReaction ConditionsOperation in experiment
98% With potassium carbonate; In N,N-dimethyl-formamide; at 50℃; for 0.5h; 2-(4-hydroxy-3-nitrophenyl)acetic acid (10.0 g, 50 mmol) was dissolved in N,N-dimethylformamide (100 mL) and potassium carbonate (21.0 g, 152.2 mmol) was added into the solution. Methyl iodide (21.0 g, 147.9 mmol) was then added. The reaction mixture was warmed to 50 C. and reacted for 30 min. TLC showed the reaction was completed. The reaction mixture was slowly added into 300 mL of water, filtered, and the solid was washed with water and dried in vacua to give methyl 2-(4-methoxy-3-nitrophenyl)acetate (11.2 g, 49.8 mmol, yield: 98%). 1H NMR (400 MHz, DMSO-d6) delta 7.81 (d, J=2.4 Hz, 1H), 7.57 (dd, J=2.4 and 8.8 Hz, 1H), 7.33 (d, J=8.8 Hz, 1H), 3.91 (s, 3H), 3.75 (s, 2H), 3.63 (s, 3H); MS: 226.3 [M+H]+.
In N,N-dimethyl-formamide; (1) A mixture of 4-hydroxy-3-nitrophenylacetic acid (10 g, 50.7 mmol), sodium hydride (2.6 g, 0.11 mol), iodomethane (15.6 g, 0.11 mol) and N,N-dimethylformamide (170 ml) was stirred at room temperature overnight. The mixture was diluted with water (200 ml) and extracted with ethyl acetate (200 ml). The extract was washed with 1 N aqueous sodium hydroxide solution, 5% potassium hydrogen sulfate, saturated aqueous sodium hydrogen sulfate and saturated saline, dried with anhydrous sodium sulfate, and then concentrated under reduced pressure. The residue was recrystallized from ethyl acetate-hexane (1:1) to obtain methyl 2-(4-methoxy-3-nitrophenyl)acetate (10.4 g, 46.2 mmol, 91%) as colorless needles. Melting point 101-102 C. IR numax (KBr) cm-1: 1730 (C=O). 1H-NMR (CDCl3) delta: 3.626 (2H, s), 3.718 (3H, s), 3.960 (3H, s), 7.062 (1H, d, J=8.8 Hz), 7.478 (1H, dd, J=2.2, 8.8 Hz), 7.795 (1H, d, J=2.2 Hz). Elemental analysis (C10H11NO5) Cal'd: C, 55.58; H, 5.30; N, 4.96. Found: C, 53.44; H, 4.87; N, 5.98.
  • 3
  • [ 10463-20-4 ]
  • [ 34837-88-2 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 10463-20-4 ]

Aryls

Chemical Structure| 5803-22-5

[ 5803-22-5 ]

2-(3-Methoxy-4-nitrophenyl)acetic acid

Similarity: 0.91

Chemical Structure| 34837-88-2

[ 34837-88-2 ]

Methyl 2-(4-methoxy-3-nitrophenyl)acetate

Similarity: 0.90

Chemical Structure| 3011-34-5

[ 3011-34-5 ]

4-Hydroxy-3-nitrobenzaldehyde

Similarity: 0.87

Chemical Structure| 6322-56-1

[ 6322-56-1 ]

4'-Hydroxy-3'-nitroacetophenone

Similarity: 0.86

Chemical Structure| 704-13-2

[ 704-13-2 ]

3-Hydroxy-4-nitrobenzaldehyde

Similarity: 0.84

Carboxylic Acids

Chemical Structure| 5803-22-5

[ 5803-22-5 ]

2-(3-Methoxy-4-nitrophenyl)acetic acid

Similarity: 0.91

Chemical Structure| 89-41-8

[ 89-41-8 ]

4-Methoxy-3-nitrobenzoic acid

Similarity: 0.84

Chemical Structure| 20876-29-3

[ 20876-29-3 ]

5-Methoxy-2-nitrophenylacetic Acid

Similarity: 0.81

Chemical Structure| 20876-30-6

[ 20876-30-6 ]

2-(4-Methoxy-2-nitrophenyl)acetic acid

Similarity: 0.81

Chemical Structure| 287119-83-9

[ 287119-83-9 ]

2-(2-Methyl-5-nitrophenyl)acetic acid

Similarity: 0.80

Nitroes

Chemical Structure| 5803-22-5

[ 5803-22-5 ]

2-(3-Methoxy-4-nitrophenyl)acetic acid

Similarity: 0.91

Chemical Structure| 34837-88-2

[ 34837-88-2 ]

Methyl 2-(4-methoxy-3-nitrophenyl)acetate

Similarity: 0.90

Chemical Structure| 3011-34-5

[ 3011-34-5 ]

4-Hydroxy-3-nitrobenzaldehyde

Similarity: 0.87

Chemical Structure| 6322-56-1

[ 6322-56-1 ]

4'-Hydroxy-3'-nitroacetophenone

Similarity: 0.86

Chemical Structure| 704-13-2

[ 704-13-2 ]

3-Hydroxy-4-nitrobenzaldehyde

Similarity: 0.84

; ;