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. 947533-45-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 947533-45-1
Chemical Structure| 947533-45-1
Structure of 947533-45-1 * 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 [ 947533-45-1 ]

Related Doc. of [ 947533-45-1 ]

Alternatived Products of [ 947533-45-1 ]
Product Citations

Product Details of [ 947533-45-1 ]

CAS No. :947533-45-1 MDL No. :MFCD09835164
Formula : C4H2BrFN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ANSMRNCOBLTNBO-UHFFFAOYSA-N
M.W : 176.97 Pubchem ID :26344048
Synonyms :

Calculated chemistry of [ 947533-45-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 29.69
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.69
Log Po/w (XLOGP3) : 1.33
Log Po/w (WLOGP) : 1.8
Log Po/w (MLOGP) : 0.81
Log Po/w (SILICOS-IT) : 2.16
Consensus Log Po/w : 1.56

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.33
Solubility : 0.828 mg/ml ; 0.00468 mol/l
Class : Soluble
Log S (Ali) : -1.47
Solubility : 5.96 mg/ml ; 0.0337 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.78
Solubility : 0.293 mg/ml ; 0.00166 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.72

Safety of [ 947533-45-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 947533-45-1 ]

* 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 [ 947533-45-1 ]

[ 947533-45-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 305329-97-9 ]
  • [ 947533-45-1 ]
  • tert-butyl 3-((5-fluoropyrimidin-2-yl)methyl)pyrrolidin-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.760 g With (1,2-dimethoxyethane)dichloronickel(II); tris-(trimethylsilyl)silane; [4,4?-bis(1,1-dimethylethyl)-2,2?-bipyridine-N1,N1?]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; lithium hydroxide; In 1,2-dimethoxyethane; for 0.25h;Inert atmosphere; Irradiation; A solution of NiCl2(glyme) (0.084 g, 0.384 mmol), 4-ie/7-butyl-2-(4-ie/7-butyl-2-pyridyl)pyridine, and Ir{dF(CF3)ppy}2(dtbpy)PF6(0.086 g, 0.077 mmol) in DME (80 mL) was sparged with N2for 15 min. The nickel solution was added to a mixture of //77-butyl 3- (bromomethyl)pyrrolidine-l-carboxylate (2.03 g, 7.68 mmol), 2-bromo-5-fluoro-pyrimidine (1.70 g, 9.61 mmol), tris(trimethylsilyl) silane (2.87 g, 11.5 mmol, 3.54 mL), and lithium hydroxide (0.736 mg, 30.7 mmol). After the mixture was sparged with N2(15 min), the reaction was irradiated with blue LEDs (48 watts 450 hv) overnight at 40 C. Celite was added to the reaction, and the mixture was filtered and concentrated in vacuo. The residue was purified over Si02(0-100% EtOAc:heptane) to afford the title compound (0.760 g). LCMS (ESI): [M - i-Bu] 226. 1HNMR: (500 MHz, CDCl3) d 8.39 (br d, 7=9.46 Hz, 2 H), 3.30 - 3.46 (m, 2 H), 3.10 - 3.21 (m, 1 H), 2.85 - 2.96 (m, 3 H), 2.54 - 2.66 (m, 1 H), 1.80 - 1.91 (m, 1 H), 1.42 - 1.57 (m, 1 H), 1.27 - 1.35 (m, 9 H)
  • 2
  • [ 947533-45-1 ]
  • [ 1015609-11-6 ]
  • Methyl 1-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridine-6-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; copper(l) iodide; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; In toluene; at 100℃; for 72.0h;Inert atmosphere; To a mixture of <strong>[1015609-11-6]methyl 1H-pyrrolo[3,2-b]pyridine-6-carboxylate</strong> (1.00 g, 5.68 mmol), 2-bromo-5-fluoropyrimidine (1.20 g, 6.81 mmol), K3PO4 (1.20 g, 5.68 mmol), (R,R)-N,N'-dimethylcyclohexane-1,2-diamine (0.323 g, 2.27 mmol) in toluene (57 mL) under N2 was added CuI (0.216 g, 1.13 mmol). The mixture was heated at 100 C. for 72 h. After cooling to RT, Celite was added, and the mixture was filtered and concentrated. The crude residue was purified by flash silica gel chromatography (0-100% EtOAc/hexanes) to afford the title compound. LC/MS=273 [M+1].
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 947533-45-1 ]

Fluorinated Building Blocks

Chemical Structure| 1372096-33-7

[ 1372096-33-7 ]

2,4-Dibromo-5-fluoropyrimidine

Similarity: 0.86

Chemical Structure| 675-21-8

[ 675-21-8 ]

5-Fluoropyrimidine

Similarity: 0.80

Chemical Structure| 1683-85-8

[ 1683-85-8 ]

5-Fluoropyrimidin-2-amine

Similarity: 0.70

Chemical Structure| 54376-50-0

[ 54376-50-0 ]

5-Fluoro-2-methylpyrimidine

Similarity: 0.69

Chemical Structure| 785777-87-9

[ 785777-87-9 ]

2-Bromo-4-(trifluoromethyl)pyrimidine

Similarity: 0.67

Bromides

Chemical Structure| 1372096-33-7

[ 1372096-33-7 ]

2,4-Dibromo-5-fluoropyrimidine

Similarity: 0.86

Chemical Structure| 4595-60-2

[ 4595-60-2 ]

2-Bromopyrimidine

Similarity: 0.75

Chemical Structure| 130645-48-6

[ 130645-48-6 ]

2-Bromo-4-methylpyrimidine

Similarity: 0.67

Chemical Structure| 150010-20-1

[ 150010-20-1 ]

2-Bromo-5-methylpyrimidine

Similarity: 0.67

Chemical Structure| 785777-87-9

[ 785777-87-9 ]

2-Bromo-4-(trifluoromethyl)pyrimidine

Similarity: 0.67

Related Parent Nucleus of
[ 947533-45-1 ]

Pyrimidines

Chemical Structure| 1372096-33-7

[ 1372096-33-7 ]

2,4-Dibromo-5-fluoropyrimidine

Similarity: 0.86

Chemical Structure| 675-21-8

[ 675-21-8 ]

5-Fluoropyrimidine

Similarity: 0.80

Chemical Structure| 4595-60-2

[ 4595-60-2 ]

2-Bromopyrimidine

Similarity: 0.75

Chemical Structure| 1683-85-8

[ 1683-85-8 ]

5-Fluoropyrimidin-2-amine

Similarity: 0.70

Chemical Structure| 54376-50-0

[ 54376-50-0 ]

5-Fluoro-2-methylpyrimidine

Similarity: 0.69

; ;