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. 22428-87-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 22428-87-1
Chemical Structure| 22428-87-1
Structure of 22428-87-1 * 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 [ 22428-87-1 ]

Related Doc. of [ 22428-87-1 ]

Alternatived Products of [ 22428-87-1 ]
Product Citations

Product Details of [ 22428-87-1 ]

CAS No. :22428-87-1 MDL No. :MFCD00067003
Formula : C8H14O3 Boiling Point : -
Linear Structure Formula :- InChI Key :HKQTYQDNCKMNHZ-UHFFFAOYSA-N
M.W : 158.20 Pubchem ID :567352
Synonyms :

Calculated chemistry of [ 22428-87-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.71
TPSA : 38.69 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.0
Log Po/w (XLOGP3) : 0.27
Log Po/w (WLOGP) : 0.66
Log Po/w (MLOGP) : 0.43
Log Po/w (SILICOS-IT) : 1.36
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.99
Solubility : 16.2 mg/ml ; 0.102 mol/l
Class : Very soluble
Log S (Ali) : -0.64
Solubility : 35.9 mg/ml ; 0.227 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.75
Solubility : 28.2 mg/ml ; 0.178 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.99

Safety of [ 22428-87-1 ]

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 [ 22428-87-1 ]

* 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 [ 22428-87-1 ]

[ 22428-87-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 22428-87-1 ]
  • [ 7651-82-3 ]
  • [ 1041423-19-1 ]
YieldReaction ConditionsOperation in experiment
4-(lsoquinolin-6-yloxy)-cyc.ohexanone (27); A suspension of 9 g triphenylphosphine (bound to polystyrene, Argonaut, 1.6 mmol/g, 14.4 mmol) and 1.57 ml_ (1.74 g, 10 mmol) diethyl azocarboxylate in 100 mL dichloromethane was stirred for 10 min under argon atmosphere. Then 1.45 g (10 mmol) <strong>[7651-82-3]6-hydroxy-isoquinoline</strong> and 1.58 g (10 mmol) 1 ,4-dioxa-spiro[4.5]decan-8-ol were added. After 40 min 1.39 mL (1 g, 10 mmol) triethyl amine was added and the reaction was allowed to shake for 16 h at room temperature. After filtration the organic layer was extracted with 1 N NaOH, dried over Na2SO4, filtered and concentrated in vacuo.The crude material (2.2 g) was dissolved in 200 mL acetone and 10 mL water. 1.5 g (7.9 mmol) of para-toluene sulfonic acid were added and the reaction was heated to reflux temperature for 6 h. Then the solvents were distilled off. The remainder was dissolved in dichloromethane and was extracted with aqueous Na2CO3 solution. After drying over Na2SO4, filtration and removal of the solvents the crude product was purified by flash chromatography to yield 1.19 g of 27 as a white solid. 1H-NMR (de-DMSO): delta = 9.16 (1 H, s), 8.41 (1 H, d, J = 5.8 Hz), 8.05 (1 H, d, J = 8.9 Hz), 7.70 (1 H, d, J = 5.8 Hz), 7.51 (1 H, d, J = 2.5 Hz), 7.36 (1 H, dd, J = 8.9 und 2.5 Hz), 5.04 (1 H, m), 2.44 (4H, m), 2.22 (2H, m), 2.11 (2H, m). MS: m/z = 242 (MH+).
  • 2
  • [ 22428-87-1 ]
  • [ 104618-32-8 ]
  • 3
  • [ 22428-87-1 ]
  • [ 4983-28-2 ]
  • [ 1314391-25-7 ]
YieldReaction ConditionsOperation in experiment
With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃; 2-Chloropyrimidin-5-ol (Intermediate No.86 Step 2, 200 mg,. 1.5 mmol) was dissolved in THF (5 mL) and triphenylphosphine (600 mg, 23 mmol) and 1,4-dioxa- spiro[4.5]decan-8-ol (365 mg, 2.30 mmol) was added, followed by DIAD (0.45 mL, 2.3 mmol). The reaction mixture was stirred at ambient temperature overnight. The reaction mixture was diluted with EtOAc, washed with saturated NaHC03> and the aqueous phase was extracted with. EtOAc. The combined organic extracts were dried over Na2S04, filtered, dry loaded onto silica gel and the cpade residue was purified by flash chromatography (MPLC, 2-20percentDCM-hexane followed-by 5-60percent EtOAc-hexane) to give a crude residue which was further purified by reverse phase preparative HPLC (0-80percent MeCN-H20, 0.05percent TFA). Fractions containing the pure compound were collected and the free base was liberated by an EtOAc extraction and sat.NaHC03 wash to give 2-c oro-5-(l ,4-dioxaspiro[4.5]dec-8-yloxy)pyrimidine as a solid.LRMS (ESI) calc'd for C12H16C1N203 [M+H] +: 271 , Found: 271
  • 4
  • [ 22428-87-1 ]
  • [ 163622-50-2 ]
  • [ 330792-72-8 ]
  • 5
  • [ 22428-87-1 ]
  • [ 163622-50-2 ]
  • [ 943974-70-7 ]
YieldReaction ConditionsOperation in experiment
60% 5-Iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine (1.34 g, 5.15 mmol),4-Hydroxycyclohexanone ethylene glycol acetal (1.22 g, 7.7 mmol) and triphenylphosphine (4.05 g, 15.45 mmol) were added to 30 mL of anhydrous tetrahydrofuran.Under nitrogen atmosphere, diisopropyl azodicarboxylate (2.1 g, 10.3 mmol) was slowly added dropwise under ice-cooling, and the mixture was allowed to react to room temperature overnight.The reaction was completely detected by TLC, and the solvent was evaporated in vacuo.The mixture was stirred at room temperature for 0.5 hour, filtered, and the filter cake was rinsed with 5 mL of ethyl acetate and dried to give 1.5 g of a white solid, which was dissolved in 20 mL of acetone, and 6 M hydrochloric acid was slowly added dropwise to pH = 3 in an ice bath, and the reaction mixture was reacted at room temperature for 3 hours. . Rotate the solvent,Add ethyl acetate to dissolve,Wash with saturated sodium bicarbonate solution, dry,Concentrated to a white solid, 1.1 g, yield 60%.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 22428-87-1 ]

Alcohols

Chemical Structure| 17159-82-9

[ 17159-82-9 ]

1,4-Dioxaspiro[4.5]decan-8-ylmethanol

Similarity: 0.90

Chemical Structure| 66336-42-3

[ 66336-42-3 ]

8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Similarity: 0.90

Chemical Structure| 1256546-72-1

[ 1256546-72-1 ]

1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol

Similarity: 0.84

Chemical Structure| 5754-34-7

[ 5754-34-7 ]

2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol

Similarity: 0.83

Chemical Structure| 20880-92-6

[ 20880-92-6 ]

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol

Similarity: 0.81

Related Parent Nucleus of
[ 22428-87-1 ]

Aliphatic Heterocycles

Chemical Structure| 17159-82-9

[ 17159-82-9 ]

1,4-Dioxaspiro[4.5]decan-8-ylmethanol

Similarity: 0.90

Chemical Structure| 66336-42-3

[ 66336-42-3 ]

8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Similarity: 0.90

Chemical Structure| 1256546-72-1

[ 1256546-72-1 ]

1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol

Similarity: 0.84

Chemical Structure| 40025-75-0

[ 40025-75-0 ]

6-Oxaspiro[bicyclo[3.1.0]hexane-3,2'-[1,3]dioxolane]

Similarity: 0.84

Chemical Structure| 5754-34-7

[ 5754-34-7 ]

2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol

Similarity: 0.83

Spiroes

Chemical Structure| 17159-82-9

[ 17159-82-9 ]

1,4-Dioxaspiro[4.5]decan-8-ylmethanol

Similarity: 0.90

Chemical Structure| 66336-42-3

[ 66336-42-3 ]

8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Similarity: 0.90

Chemical Structure| 1256546-72-1

[ 1256546-72-1 ]

1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol

Similarity: 0.84

Chemical Structure| 40025-75-0

[ 40025-75-0 ]

6-Oxaspiro[bicyclo[3.1.0]hexane-3,2'-[1,3]dioxolane]

Similarity: 0.84

Chemical Structure| 78008-36-3

[ 78008-36-3 ]

(R)-1,4-Dioxaspiro[4.5]decane-2-carbaldehyde

Similarity: 0.77

Dioxolanes

Chemical Structure| 17159-82-9

[ 17159-82-9 ]

1,4-Dioxaspiro[4.5]decan-8-ylmethanol

Similarity: 0.90

Chemical Structure| 66336-42-3

[ 66336-42-3 ]

8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Similarity: 0.90

Chemical Structure| 1256546-72-1

[ 1256546-72-1 ]

1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol

Similarity: 0.84

Chemical Structure| 40025-75-0

[ 40025-75-0 ]

6-Oxaspiro[bicyclo[3.1.0]hexane-3,2'-[1,3]dioxolane]

Similarity: 0.84

Chemical Structure| 5754-34-7

[ 5754-34-7 ]

2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol

Similarity: 0.83

; ;