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. 1112-67-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1112-67-0
Chemical Structure| 1112-67-0
Structure of 1112-67-0 * 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 [ 1112-67-0 ]

Related Doc. of [ 1112-67-0 ]

Alternatived Products of [ 1112-67-0 ]
Product Citations

Product Citations

Thomson, Brodie ;

Abstract: Sulfur(IV) fluorides are powerful synthetic reagents typically used in the fluorination of small molecules. Traditional examples, including SF4 and DAST, were primarily applied in the deoxyfluorinations of alcohols, carbonyls and carboxylic acids. More recent sulfur(IV) fluoride analogues, including thionyl fluoride and XtalFluor-E? , display unique reactivity relative to DAST and SF4, yet have rarely been applied outside of similar organic transformations. In this thesis, the unique reactivities of thionyl fluoride and XtalFluor-E? were investigated and utilised towards the synthesis of acyl fluorides, sulfonyl fluorides, sulfinyl fluorides, and arylaminooxetanes. Chapter 2 describes the utilization of thionyl fluoride in a carboxylic acid activation strategy to synthesize acyl fluorides. The desired products were synthesized in high yields (60–99%) under mild conditions and quantified either in solution using 19F NMR spectroscopy or isolated in a column-free protocol. Chapter 3 describes the efforts made in improving the synthesis of sulfonyl fluorides and sulfinyl fluorides. In one transformation, sulfonic acids were derivatized in a DMF-promoted, thionyl fluoride-mediated fluorination, affording sulfonyl fluorides in high yields (80-99%). A complementary strategy utilising XtalFluor-E? accessed the same products in good isolated yields (41-94%), but milder conditions. Thionyl fluoride was also used to transform sulfinic acids to sulfinyl fluorides in a one-pot strategy, accessing sulfinyl fluorides in high crude yields (75-98%) quantified by 19F NMR spectroscopy. This represents the first general method reported towards their synthesis. Chapter 4 describes an expedited route towards the synthesis of arylamino-oxetanes via the XtalFluor-E?-mediated activation of 3-aryloxetan-3-ols. The optimised protocol accessed arylamino-oxetanes under mild conditions and reduced the number of steps required in their syntheses (between 2-6) compared to current literature procedures. This represents the shortest and simplest route towards their synthesis, accessing the desired products in 34-97% isolated yields. Chapter 6 is a distinct chapter in collaboration with Delic Laboratories, UBC and BAT, in which the light-induced degradation of CBD solutions was investigated. CBD-hydroxyquinone was identified to undergo a light-induced photo-isomerisation to form a previously unidentified cannabinoid intermediate. Both experimental and computation studies identified this intermediate reacts rapidly with oxygen to form a multitude of products in solution.

Purchased from AmBeed: ; ; ;

Product Details of [ 1112-67-0 ]

CAS No. :1112-67-0 MDL No. :MFCD00011635
Formula : C16H36ClN Boiling Point : -
Linear Structure Formula :ClN(C4H9)4 InChI Key :NHGXDBSUJJNIRV-UHFFFAOYSA-M
M.W : 277.92 Pubchem ID :70681
Synonyms :

Calculated chemistry of [ 1112-67-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 12
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 87.25
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.48
Log Po/w (XLOGP3) : 1.45
Log Po/w (WLOGP) : 2.01
Log Po/w (MLOGP) : 1.01
Log Po/w (SILICOS-IT) : 4.71
Consensus Log Po/w : 1.54

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.68
Solubility : 5.75 mg/ml ; 0.0207 mol/l
Class : Very soluble
Log S (Ali) : -1.06
Solubility : 24.4 mg/ml ; 0.0879 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -6.35
Solubility : 0.000125 mg/ml ; 0.000000449 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 1112-67-0 ]

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

Application In Synthesis of [ 1112-67-0 ]

* 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 [ 1112-67-0 ]

[ 1112-67-0 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 23218-93-1 ]
  • [ 1112-67-0 ]
  • C16H36N(1+)*C8H8N2O4*Cl(1-) [ No CAS ]
  • 2
  • [ 10034-09-0 ]
  • [ 1112-67-0 ]
  • [ 460746-47-8 ]
  • 4-{2-[(E)-2-methoxyethenyl]-2,3-dihydro-1-benzofuran-5-yl}benzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% With sodium hydrogencarbonate;palladium diacetate; In dichloromethane; N,N-dimethyl-formamide; Example 67A 4-{2-[(E)-2-methoxyethenyl]-2,3-dihydro-1-benzofuran-5-yl}benzonitrile A solution of Example 1A (0.20 g, 0.623 mmol), 1-methoxybutadiene (0.18 g, 2.18 mmol), palladium diacetate (0.007 g, 0.031 mmol), sodium bicarbonate (0.261 g, 3.11 mmol) and tetrabutyl ammonium chloride (0.173 g, 0.623 mmol) was heated at 60 C. in DMF (3 mL) under an atmosphere of nitrogen for 36 hours. The reaction was cooled to 23 C., diluted with CH2Cl2 (50 mL), filtered through Celite. The solution was concentrated under reduce pressure and the residue was purified on silica using CH2Cl2 to give the titled compound (0.95 g, 55%). 1H NMR (CDCl3): 3.05 (m, 1H), 3.40 (m, 1H), 3.60 (s, 3H), 5.00 (m, 1H), 5.22 (m, 1H), 6.72 (d, J=14 Hz, 1H), 6.83 (d, J=7 Hz, 1H), 7.38 (m, 2H), 7.65 (m, 4H); MS (DCI): 278 (M+H+), 295 (M+NH4+).
55% With sodium hydrogencarbonate;palladium diacetate; In dichloromethane; N,N-dimethyl-formamide; EXAMPLE 67A 4-{2-[(E)-2-methoxyethenyl]-2,3-dihydro-1-benzofuran-5-yl}benzonitrile A solution of Example 1A (0.20 g, 0.623 mmol), 1-methoxybutadiene (0.18 g, 2.18 mmol), palladium diacetate (0.007 g, 0.031 mmol), sodium bicarbonate (0.261 g, 3.11 mmol) and tetrabutyl ammonium chloride (0.173 g, 0.623 mmol) was heated at 60 C. in DMF (3 mL) under an atmosphere of nitrogen for 36 hours. The reaction was cooled to 23 C., diluted with CH2Cl2 (50 mL), filtered through Celite. The solution was concentrated under reduce pressure and the residue was purified on silica using CH2Cl2 to give the titled compound (0.95 g, 55%). 1H NMR (CDCl3): 3.05 (m, 1H), 3.40 (m, 1H), 3.60 (s, 3H), 5.00 (m, 1H), 5.22 (m, 1H), 6.72 (d, J=14 Hz, 1H), 6.83 (d, J=7 Hz, 1H), 7.38 (m, 2H), 7.65 (m, 4H); MS (DCI): 278 (M+H+), 295 (M+NH4+).
  • 3
  • [ 326-62-5 ]
  • [ 1112-67-0 ]
  • [ 75-26-3 ]
  • [ 81951-80-6 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; Step (a) Preparation of 2-fluoro-alpha-(1-methylethyl)benzeneacetonitrile A mixture of 2-fluorophenylacetonitrile (10.0 g, 74.1 mmoles), 50% aqueous sodium hydroxide (5.2 g), sodium hydroxide (741 mg), tetra-n-butylammonium chloride (3.3 g), and 2-bromopropane (10.0 g, 81.5 mmoles) was stirred rapidly while heating from room temperature to 60-65. The temperature was increased to 90-95 and so maintained for 1.0 hour. After cooling, the mixture was partitioned between diethyl ether and water. The organic layer was washed with brine, dried over sodium sulfate, filtered, and the solvent evaporated. Chromatography of the residue over silica gel using 30% methylene chloride-hexane as eluent gave a compound (9.35 g) as a water-white oil which was characterized by NMR, as follows: 1 H NMR(CDCl3) d 7.51-7.00 (m, 4H), 3.99 (d, 1H), 2.22 (m, 1H), 1.06 (d, 1H).
  • 4
  • [ 14172-90-8 ]
  • [ 1112-67-0 ]
  • [ 78992-04-8 ]
  • 5
  • sodium dithionite [ No CAS ]
  • [ 34035-97-7 ]
  • [ 1761-56-4 ]
  • [ 1112-67-0 ]
  • [ 89554-14-3 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Similar Product of
[ 1112-67-0 ]

Chemical Structure| 10549-76-5

A1006083[ 10549-76-5 ]

Tetrabutylammonium

Reason: Free-Salt

; ;