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. 158602-36-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 158602-36-9
Chemical Structure| 158602-36-9
Structure of 158602-36-9 * 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 [ 158602-36-9 ]

Related Doc. of [ 158602-36-9 ]

Alternatived Products of [ 158602-36-9 ]
Product Citations

Product Details of [ 158602-36-9 ]

CAS No. :158602-36-9 MDL No. :MFCD17015919
Formula : C10H18INO2 Boiling Point : -
Linear Structure Formula :- InChI Key :OGFCVYKPYPPCDL-UHFFFAOYSA-N
M.W : 311.16 Pubchem ID :19034125
Synonyms :
Chemical Name :tert-Butyl 3-(2-iodoethyl)azetidine-1-carboxylate

Calculated chemistry of [ 158602-36-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 5
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.56
TPSA : 29.54 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.05
Log Po/w (XLOGP3) : 2.79
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 2.29
Log Po/w (SILICOS-IT) : 2.18
Consensus Log Po/w : 2.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.2
Solubility : 0.198 mg/ml ; 0.000635 mol/l
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.267 mg/ml ; 0.000858 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.46
Solubility : 1.08 mg/ml ; 0.00348 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.44

Safety of [ 158602-36-9 ]

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 [ 158602-36-9 ]

* 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 [ 158602-36-9 ]

[ 158602-36-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 288-32-4 ]
  • [ 152537-03-6 ]
  • [ 75-05-8 ]
  • [ 158602-36-9 ]
YieldReaction ConditionsOperation in experiment
With iodine; triphenylphosphine; STR58 N-BOC-Azetidin-3-ylethyl iodide (134) A stirred solution of 133 (0.78 g, 3.8 mmol), PPh3 (1.1 g, 4.3 mmol), imidazole (0.40 g, 5.8 mmol), and CH3 CN (20 mL) at 0 C. was treated with iodine (1.0 g, 4.3 mmol). After 15 min the cooling bath was removed and stirring continued for 5 h. The reaction mixture was then diluted with H2 O and extracted with hexanes (5*25 mL then 4*50 mL). The combined extracts were dried (MgSO4) and concentrated. Flash chromatography (silica, 20% EtOAc/hexanes) gave 134 (0.99 g) as a colorless oil. Rf 0.44 (silica, 20% EtOAc/hexanes). 1 H NMR (400 MHz, CDCl3) delta 4.04 (t, J=7 Hz, 2H), 3.57 (dd, 2H), 3.10 (t, 2H), 2.64 (m, 1H), 2.16 (q, 2H), 1.43 (s, 9H).
  • 2
  • [ 158602-36-9 ]
  • [ 158602-37-0 ]
YieldReaction ConditionsOperation in experiment
With diisopropylamine; In tetrahydrofuran; STR59 3-[N-BOC-2-(Azetidin-3-yl)ethyl]-2-piperidone (136) A solution of 135 (for preparation see; D. H. Hua, et. al., JOC, 55, 3682, 1990) (0.19 g, 1.2 mmol) in THF (3.9 mL) at -78 C. was added LDA (0.58 mL, 1.2 mmol, 2.0M/heptane/THF/ethylbenzene) dropwise. After 15 min 134 (0.30 g, 0.96 mmol) in THF (3.5 mL) was added dropwise. After stirring 1.0 h, the reaction was quenched with CH3 OH (7.5 mL) and the resulting solution warmed to ambient temperature. The solution was then diluted with EtOAc and then washed with H2 O, 5% KHSO4, sat. NaHCO3, and brine, dried (MgSO4), and concentrated to give 136 (0.27 g) as a white solid. Rf 0.25 (silica, 2:1 CH2 Cl2 /acetone). 1 H ITMR (400 MHz, CDCl3) delta 5.81 (bs, 1H), 3.95 (m, 2H), 3.54 (m, 2H), 3.10 (m, 2H), 2.47 (m, 1H), 2.26 (m, 1H), 2.00-1.40 (m, 8H), 1.43 (s, 9H).
  • 3
  • [ 158602-36-9 ]
  • 6-(2-(azetidin-3-yl)ethoxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile [ No CAS ]
  • 4
  • [ 158602-36-9 ]
  • 4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3 -yl)pyridin-3-yl)-6-(2-(1-methylazetidin-3-yl)ethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;