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. 1503-98-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1503-98-6
Chemical Structure| 1503-98-6
Structure of 1503-98-6 * 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 [ 1503-98-6 ]

Related Doc. of [ 1503-98-6 ]

Alternatived Products of [ 1503-98-6 ]
Product Citations

Product Details of [ 1503-98-6 ]

CAS No. :1503-98-6 MDL No. :MFCD00029076
Formula : C5H9NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :MFNYBOWJWGPXFM-UHFFFAOYSA-N
M.W : 99.13 Pubchem ID :1274476
Synonyms :

Calculated chemistry of [ 1503-98-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 26.94
TPSA : 43.09 ?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) : -6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.09
Log Po/w (XLOGP3) : 0.14
Log Po/w (WLOGP) : 0.27
Log Po/w (MLOGP) : 0.1
Log Po/w (SILICOS-IT) : 0.54
Consensus Log Po/w : 0.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.48
Solubility : 33.1 mg/ml ; 0.334 mol/l
Class : Very soluble
Log S (Ali) : -0.6
Solubility : 24.8 mg/ml ; 0.25 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.27
Solubility : 53.6 mg/ml ; 0.541 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1503-98-6 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H302-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1503-98-6 ]

* 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 [ 1503-98-6 ]

[ 1503-98-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 165669-35-2 ]
  • [ 1503-98-6 ]
  • [ 1426255-06-2 ]
YieldReaction ConditionsOperation in experiment
36% With caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene;tris-(dibenzylideneacetone)dipalladium(0); In toluene; at 120℃; for 8h; To a solution of 7-bromo-1 H-pyrrolo[2,3-c]pyridine (500 mg, 2.53 mmol) in toluene were added tris (dibenzylidene acetone) dipalladium (1 16.20 mg, 0.126 mmol), Xantphos (32.98 mg, 0.057 mmol), cesium carbonate (896 mg, 2.75 mmol), and cyclobutanecarboxamide (251 mg, 2.96 mmol, Intermediate 4). The resulting reaction mixture was heated to 120 C and stirred for 8 hours. After cooling to room temperature a saturated aqueous sodium bicarbonate solution (20 mL) was added to the reaction mixture and extracted with ethyl acetate (3 x 50 mL). The combined organic layer was dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by silica gel (100-200) column chromatography to afford A/-(1 /-/-pyrrolo[2,3-c]pyhdin-7-yl) cyclopropane carboxamide (200 mg, 36 % yield).1H NMR (400 MHz, CHCI3-cf): δ 7.72 - 7.79 (m, 1 H), 7.45 - 7.54 (m, 1 H), 7.38 - 7.45 (m, 1 H), 6.58 - 6.63 (m, 1 H), 3.47 - 3.51 (m, 1 H), 2.29 - 2.51 (m, 2H), 1 .88 - 2.14 (m, 2H), 1 .21 - 1 .31 (m, 2H). MS: 216.56 (M+1 ).
36% With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 120℃; for 8h; To a solution of <strong>[165669-35-2]7-bromo-1H-pyrrolo[2,3-c]pyridine</strong> (500 mg, 2.53 mmol) in toluene were added tris (dibenzylidene acetone) dipalladium (116.20 mg, 0.126 mmol), Xantphos (32.98 mg, 0.057 mmol), cesium carbonate (896 mg, 2.75 mmol), and cyclobutanecarboxamide (251 mg, 2.96 mmol, Intermediate 4).; The resulting reaction mixture was heated to 120 C. and stirred for 8 hours. After cooling to room temperature a saturated aqueous sodium bicarbonate solution (20 mL) was added to the reaction mixture and extracted with ethyl acetate (3*50 mL). The combined organic layer was dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by silica gel (100-200) column chromatography to afford N-(1H-pyrrolo[2,3-c]pyridin-7-yl)cyclopropane carboxamide (200 mg, 36% yield). 1H NMR (400 MHz, CHCl3-d): δ 7.72-7.79 (m, 1H), 7.45-7.54 (m, 1H), 7.38-7.45 (m, 1H), 6.58-6.63 (m, 1H), 3.47-3.51 (m, 1H), 2.29-2.51 (m, 2H), 1.88-2.14 (m, 2H), 1.21-1.31 (m, 2H). MS: 216.56 (M+1).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1503-98-6 ]

Aliphatic Cyclic Hydrocarbons

Chemical Structure| 1459-39-8

[ 1459-39-8 ]

Cycloheptanecarboxamide

Similarity: 0.96

Chemical Structure| 204136-88-9

[ 204136-88-9 ]

4-Oxocyclohexanecarboxamide

Similarity: 0.85

Chemical Structure| 15910-91-5

[ 15910-91-5 ]

1-Methylcyclopropanecarboxamide

Similarity: 0.84

Chemical Structure| 6228-73-5

[ 6228-73-5 ]

Cyclopropanecarboxamide

Similarity: 0.83

Chemical Structure| 50494-42-3

[ 50494-42-3 ]

Cyclopent-3-enecarboxamide

Similarity: 0.76

Amides

Chemical Structure| 1459-39-8

[ 1459-39-8 ]

Cycloheptanecarboxamide

Similarity: 0.96

Chemical Structure| 2430-27-5

[ 2430-27-5 ]

2-Propylpentanamide

Similarity: 0.96

Chemical Structure| 204136-88-9

[ 204136-88-9 ]

4-Oxocyclohexanecarboxamide

Similarity: 0.85

Chemical Structure| 15910-91-5

[ 15910-91-5 ]

1-Methylcyclopropanecarboxamide

Similarity: 0.84

Chemical Structure| 6228-73-5

[ 6228-73-5 ]

Cyclopropanecarboxamide

Similarity: 0.83

Amines

Chemical Structure| 1459-39-8

[ 1459-39-8 ]

Cycloheptanecarboxamide

Similarity: 0.96

Chemical Structure| 2430-27-5

[ 2430-27-5 ]

2-Propylpentanamide

Similarity: 0.96

Chemical Structure| 204136-88-9

[ 204136-88-9 ]

4-Oxocyclohexanecarboxamide

Similarity: 0.85

Chemical Structure| 15910-91-5

[ 15910-91-5 ]

1-Methylcyclopropanecarboxamide

Similarity: 0.84

Chemical Structure| 6228-73-5

[ 6228-73-5 ]

Cyclopropanecarboxamide

Similarity: 0.83

; ;