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. 181765-86-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 181765-86-6
Chemical Structure| 181765-86-6
Structure of 181765-86-6 * 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 [ 181765-86-6 ]

Related Doc. of [ 181765-86-6 ]

Alternatived Products of [ 181765-86-6 ]
Product Citations

Product Details of [ 181765-86-6 ]

CAS No. :181765-86-6 MDL No. :MFCD00144771
Formula : C8H6BrIO2 Boiling Point : -
Linear Structure Formula :- InChI Key :CJRHLSZJEFJDLA-UHFFFAOYSA-N
M.W : 340.94 Pubchem ID :11078356
Synonyms :

Calculated chemistry of [ 181765-86-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.14
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.57
Log Po/w (XLOGP3) : 3.43
Log Po/w (WLOGP) : 2.84
Log Po/w (MLOGP) : 3.52
Log Po/w (SILICOS-IT) : 3.34
Consensus Log Po/w : 3.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.35
Solubility : 0.0151 mg/ml ; 0.0000444 mol/l
Class : Moderately soluble
Log S (Ali) : -3.66
Solubility : 0.0741 mg/ml ; 0.000217 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.24
Solubility : 0.0195 mg/ml ; 0.0000573 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.05

Safety of [ 181765-86-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 181765-86-6 ]

* 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 [ 181765-86-6 ]

[ 181765-86-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 181765-86-6 ]
  • [ 689291-89-2 ]
  • 2
  • [ 181765-86-6 ]
  • [ 853234-57-8 ]
  • 3
  • [ 654664-63-8 ]
  • [ 181765-86-6 ]
  • methyl 5-bromo-2-(triphenylen-7-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; toluene; at 120℃; for 3h;Inert atmosphere; Methyl 5-bromo-2-iodobenzoate 3.64g (1eq, 10.67mmol) 2-Triphenylenylboronic acid 3.20g (1.1eq, 11.74mmol), Tetrakis (triphenylphosphine) palladium (0) 0.7g (0.04eq, 0.43mmol) and the reaction vessel into the vacuum dried and then filled with nitrogen gas. Toluene 46ml behind the dissolved compounds into the upper flask and the addition of Ethanol 23ml 2.0MSodium carbonate solution 23ml (3eq, 32.01mmol) and stirred sikimyeo reflux for 3 hours in 120 . After completion of the reaction and the organic layer was extracted with ethyl acetate and washing with distilled water. After the filter was dried with magnesium sulfateThe solvent is evaporated. Through a subsequent column chromatography Methyl 5-bromo-2- (triphenylen-7-yl) benzoate to give a 2.68g (yield = 57%).
  • 4
  • [ 2267-23-4 ]
  • [ 181765-86-6 ]
  • methyl 5-bromo-2-((2-nitro-4-(trifluoromethoxy)phenyl)amino)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
64.1% With tris(triphenylphosphine)copper(I) bromide; caesium carbonate; In toluene; at 110℃; for 24h; A mixture of 2- nitro-4-(trifluoromethoxy)aniline (0.651 g, 2.93 mmol), methyl 5-bromo-2-iodobenzoate (1.00 g, 2.93 mmol), CS2CO3 (1.43 g, 4.40 mmol) and CuBr(PPh3)3 (0.546 g, 0.587 mmol) were suspended in toluene (15.0 mL). The resulting reaction mixture was heated to 110 C for 24 h, after which TLC analysis (10% EtOAc in Hex) showed completion. Reaction mixture was filtered through celite and the filtrate concentrated. The crude mixture was recrystallized from EtOH-H20 to afford methyl 5-bromo-2-((2-nitro-4- (trifluoromethoxy)phenyl)amino)benzoate (818 mg, 64.1 % yield) as orange crystals. NMR (400 MHz, DMSO-t 5) d 10.80 (s, 1H), 8.14 (dq, J= 2.5, 0.8 Hz, 1H), 8.06 (d, J= 2.5 Hz, 1H), 7.74 (dd, J= 8.9, 2.5 Hz, 1H), 7.71 - 7.65 (m, 2H), 7.52 (d, J= 8.9 Hz, 1H), 3.89 (s, 3H). 19F NMR (376 MHz, DMSO-t 5) d -57.50 (s, 3F). LCMS RT (Method 2) = 3.901 min, m/z 436.6 [M+H+]
  • 5
  • [ 1455-20-5 ]
  • [ 181765-86-6 ]
  • [ 292638-85-8 ]
  • C20H21BrO4S [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 181765-86-6 ]

Aryls

Chemical Structure| 249647-24-3

[ 249647-24-3 ]

Methyl 3-bromo-4-iodobenzoate

Similarity: 0.90

Chemical Structure| 1261840-81-6

[ 1261840-81-6 ]

Methyl 2-bromo-6-iodobenzoate

Similarity: 0.90

Chemical Structure| 386267-31-8

[ 386267-31-8 ]

Ethyl 3-bromo-4-iodobenzoate

Similarity: 0.88

Chemical Structure| 188815-32-9

[ 188815-32-9 ]

3-Bromo-5-iodobenzoic acid

Similarity: 0.85

Chemical Structure| 249647-25-4

[ 249647-25-4 ]

3-Bromo-4-iodobenzoic acid

Similarity: 0.83

Bromides

Chemical Structure| 249647-24-3

[ 249647-24-3 ]

Methyl 3-bromo-4-iodobenzoate

Similarity: 0.90

Chemical Structure| 1261840-81-6

[ 1261840-81-6 ]

Methyl 2-bromo-6-iodobenzoate

Similarity: 0.90

Chemical Structure| 386267-31-8

[ 386267-31-8 ]

Ethyl 3-bromo-4-iodobenzoate

Similarity: 0.88

Chemical Structure| 188815-32-9

[ 188815-32-9 ]

3-Bromo-5-iodobenzoic acid

Similarity: 0.85

Chemical Structure| 249647-25-4

[ 249647-25-4 ]

3-Bromo-4-iodobenzoic acid

Similarity: 0.83

Esters

Chemical Structure| 249647-24-3

[ 249647-24-3 ]

Methyl 3-bromo-4-iodobenzoate

Similarity: 0.90

Chemical Structure| 1261840-81-6

[ 1261840-81-6 ]

Methyl 2-bromo-6-iodobenzoate

Similarity: 0.90

Chemical Structure| 386267-31-8

[ 386267-31-8 ]

Ethyl 3-bromo-4-iodobenzoate

Similarity: 0.88

Chemical Structure| 5471-81-8

[ 5471-81-8 ]

Methyl 4-iodo-3-methylbenzoate

Similarity: 0.80

Chemical Structure| 478375-40-5

[ 478375-40-5 ]

Methyl 3-bromo-5-methylbenzoate

Similarity: 0.79

; ;