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. 1479-58-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1479-58-9
Chemical Structure| 1479-58-9
Structure of 1479-58-9 * 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 [ 1479-58-9 ]

Related Doc. of [ 1479-58-9 ]

Alternatived Products of [ 1479-58-9 ]
Product Citations

Product Details of [ 1479-58-9 ]

CAS No. :1479-58-9 MDL No. :MFCD00038380
Formula : C13H9BrFNO Boiling Point : No data available
Linear Structure Formula :- InChI Key :XCOKDXNGCQXFCV-UHFFFAOYSA-N
M.W : 294.12 Pubchem ID :73865
Synonyms :

Calculated chemistry of [ 1479-58-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 68.38
TPSA : 43.09 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.26
Log Po/w (XLOGP3) : 3.93
Log Po/w (WLOGP) : 3.83
Log Po/w (MLOGP) : 3.39
Log Po/w (SILICOS-IT) : 3.74
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.53
Solubility : 0.00868 mg/ml ; 0.0000295 mol/l
Class : Moderately soluble
Log S (Ali) : -4.53
Solubility : 0.0086 mg/ml ; 0.0000292 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.63
Solubility : 0.000694 mg/ml ; 0.00000236 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.09

Safety of [ 1479-58-9 ]

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

Application In Synthesis of [ 1479-58-9 ]

* 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 [ 1479-58-9 ]

[ 1479-58-9 ] Synthesis Path-Downstream   1~10

  • 2
  • [ 1479-58-9 ]
  • [ 598-21-0 ]
  • [ 2647-50-9 ]
  • 3
  • [ 15761-38-3 ]
  • [ 1479-58-9 ]
  • (S)-{1-[4-bromo-2-(2-fluoro-benzoyl)-phenylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester [ No CAS ]
  • [ 2387-23-7 ]
YieldReaction ConditionsOperation in experiment
79% With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20℃; for 8.5h; {1-[4-Bromo-2-(2-fluoro-benzoyl)-phenylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester 116.; To a stirred solution of <strong>[1479-58-9](2-amino-5-bromophenyl)-(2-fluoro-phenyl)-methanone</strong> (60 g, 204 mmol) 115 and the N-Boc-L-alanine 107 (38.59 g, 204 mmol) in CH2Cl2 (500 mL) was added dicyclohexylcarbodiimide (DCC) (42.09 g, 204 mmol) in CH2Cl2 (200 mL) dropwise, over a 30 min period at 0° C. The reaction mixture was allowed to stir an additional 8 h at rt. The dicyclohexyl urea which formed was filtered off and the filtrate concentrated under reduced pressure. The crude solid residue 116 was purified by recrystallization from hexane and EtOAc to afford 116 (74.9 g, 79percent). mp 158-159° C.; IR (KBr, cm-1) 3332, 2931, 255, 1694, 1643, 1613, 1582, 1537, 1450; 1H NMR (CDCl3) delta 11.68 (s, 1H), 8.71 (d, J=9.0 Hz, 1H), 7.69 (dd, J=9.0, 2.3 Hz, 1H), 7.55-7.62 (m, 2H), 7.46 (td, J=7.6, 1.4 Hz, 1H), 7.30 (t, J=7.5 Hz, 1H), 7.21 (t, J=9.1 Hz, 1H), 5.13 (b, 1H), 4.37 (b, 1H), 1.51 (d, J=7.2 Hz, 3H), 1.45 (S, 9H). MS (EI) m/e (relative intensity) 467 (M++2, 14), 466 (M++1, 44), 465 (M+, 14), 464 (42), 329 (15), 321 (60), 295 (100), 224 (26); [alpha]26D=-59.1 (c 0.51, EtOAc).
  • 4
  • [ 3744-87-4 ]
  • [ 1479-58-9 ]
  • (R)-{1-[4-bromo-2-(2-fluoro-benzoyl)-phenylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester [ No CAS ]
  • [ 2387-23-7 ]
YieldReaction ConditionsOperation in experiment
77% With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20℃; for 8.5h; {1-[4-Bromo-2-(2-fluorobenzoyl)-phenylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester 136; To a stirred solution of (2-amino-5-bromophenyl)-(2'-fluoro-phenyl)-methanone 115 (60 g, 204 mmol) and the N-Boc-D-alanine 129 (38.59 g, 204 mmol) in CH2Cl2 (500 mL) was added dicyclohexylcarbodiimide (DCC) (42.09 g, 204 mmol) in CH2Cl2 (200 mL) dropwise, over a 30 min period at 0° C. The reaction mixture was allowed to stir an additional 8 h at rt. The dicyclohexyl urea which formed was filtered off and the filtrate concentrated under reduced pressure. The crude solid product 136 was purified by recrystallization from hexane and EtoAc to afford 136 (73 g, 77percent). mp 158-159° C.; IR (KBr, cm-1) 3332, 2931, 255, 1694, 1643, 1613, 1582, 1537, 1450; 1H NMR (CDCl3) delta 11.68 (s, 1H), 8.71 (d, J=9.0 Hz, 1H), 7.69 (dd, J=9.0, 2.3 Hz, 1H), 7.55-7.62 (m, 2H), 7.46 (td, J=7.6, 1.4 Hz, 1H), 7.30 (t, J=7.5 Hz, 1H), 7.21 (t, J=9.1 Hz, 1H), 5.13 (b, 1H), 4.37 (b, 1H), 1.51 (d, J=7.2 Hz, 3H), 1.45 (S, 9H). MS (EI) m/e (relative intensity) 467 (M++2, 14), 466 (M++1, 44), 465 (M+, 14), 464 (42), 329 (15), 321 (60), 295 (100), 224 (26); [alpha]26D=59.6 (c 0.51, EtOAc).
  • 5
  • [ 1479-58-9 ]
  • [ 103321-49-9 ]
  • [ 885124-06-1 ]
YieldReaction ConditionsOperation in experiment
In chloroform; for 2.0h;Heating / reflux; Example 1, Step 1 : fluorophenyl)carbo A round-bottomed flask was charged with (2-amino-5-bromophenyl)(2- fluorophenyl)methanone (1.45g), 9/-/-fluoren-9-ylmethyl (2-chloro-2- oxoethyl)carbamate (1.6g) and chloroform (15OmL). The mixture was heated to reflux for 2h then concentrated to dryness. The residue was taken up in a mixture of EPO <DP n="26"/>a saturated solution of sodium bicarbonate and ethyl acetate. The resulting solids were collected on a filter and washed first with water then with diethyl ether. Thorough air-drying provided 9/-/-fluoren-9-ylmethyl [2-({4-bromo>-2-[(2- fluorophenyl)carbonyl] phenyl}amino)-2-oxoethyl]carbamate (2g) as a light yellow powder. H1 NMR (d6-dmso): 10.8 (br s, 1 H), 7.95 (d, 1 H), 7.75-7.90 (m, 4H), 7.45- 7.70 (m, 5H), 7.20-7.42 (m, 6H), 4.30 (d, 2H), 4.20 (t, 1 H), 3.65 (d, 2H).
  • 6
  • [ 1479-58-9 ]
  • 5'Bromo-2-(3,4-dimethoxyphenylsulfonamido)-2'-fluorobenzophenone [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride;3,4-dimethoxybenzene-1-sulfonyl chloride; In pyridine; water; B) 5'Bromo-2-(3,4-dimethoxyphenylsulfonamido)-2'-fluorobenzophenone. 20 g of <strong>[1479-58-9]2-amino-5-bromo-2'-fluorobenzophenone</strong> are heated at 85° C. for 48 hours in 120 ml of dry pyridine in the presence of 20 g of 3,4-dimethoxyphenylsulfonyl chloride. The mixture is cooled, poured into ice-cold water, the solid is filtered off, the solid is extracted with AcOEt, the organic phase is washed with water, a solution of hydrochloric acid (1N), water and then saline water. After drying over magnesium sulfate and evaporating the solvent under vacuum, a solid is obtained which is recrystallized from DCM/isopropyl ether. m=28 g M.p.=125°-128° C.
  • 7
  • [ 124612-15-3 ]
  • [ 1479-58-9 ]
  • [ 1052719-57-9 ]
  • 8
  • [ 1479-58-9 ]
  • [ 598-21-0 ]
  • [ 1647-74-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate; In chloroform; at 0℃; for 2.0h; Example 34 Step 1.2-Bromo-N-(4-bromo-2-(2-fluorobenzoyl)phenyl)acetamide.; A mixture of <strong>[1479-58-9](2-amino-5-bromophenyl)(2-fluorophenyl)methanone</strong> (15 g, 51.0 mmol) and sodium bicarbonate (12.85 g, 153 mmol) in CHCl3 (150 mL) was cooled in an ice bath to 0° C. A solution of 2-bromoacetyl bromide (4.89 mL, 56.1 mmol) was added drop-wise slowly and washed in with CHCl3 (30 ml). The cooling was removed and the mixture was stirred for 2 hr.The reaction mixture was washed with aqueous NaHCO3 (5percent) and dried with brine. The CHCl3 was removed in vacuo and the residue was stirred with. The solid product was filtered, washed with ether and air dried to a yellow powder. The material was taken on without purification.
  • 9
  • [ 1479-58-9 ]
  • [ 70577-95-6 ]
  • methyl 6-bromo-4-(2-fluorophenyl)-2-(trifluoromethyl)quinoline-3-carboxylate [ No CAS ]
  • 10
  • [ 1479-58-9 ]
  • [ 70577-95-6 ]
  • C18H12BrF4NO3 [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

? Alkyl Halide Occurrence ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? Mannich Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Specialized Acylation Reagents-Vilsmeier Reagent ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 1479-58-9 ]

Fluorinated Building Blocks

Chemical Structure| 1504465-76-2

[ 1504465-76-2 ]

(2-Amino-5-(trifluoromethyl)phenyl)(2-fluorophenyl)methanone

Similarity: 0.78

Chemical Structure| 259750-61-3

[ 259750-61-3 ]

1-(4-Bromo-2-fluorophenyl)propan-1-one

Similarity: 0.76

Chemical Structure| 198477-89-3

[ 198477-89-3 ]

1-(5-Bromo-2-fluorophenyl)ethanone

Similarity: 0.76

Chemical Structure| 625446-22-2

[ 625446-22-2 ]

1-(4-Bromo-2-fluorophenyl)ethanone

Similarity: 0.75

Chemical Structure| 344-80-9

[ 344-80-9 ]

(2-Amino-5-nitrophenyl)(2-fluorophenyl)methanone

Similarity: 0.74

Aryls

Chemical Structure| 1140-17-6

[ 1140-17-6 ]

(2-Aminophenyl)(4-bromophenyl)methanone

Similarity: 0.79

Chemical Structure| 39859-36-4

[ 39859-36-4 ]

2-Benzoyl-4-bromoaniline

Similarity: 0.79

Chemical Structure| 1504465-76-2

[ 1504465-76-2 ]

(2-Amino-5-(trifluoromethyl)phenyl)(2-fluorophenyl)methanone

Similarity: 0.78

Chemical Structure| 259750-61-3

[ 259750-61-3 ]

1-(4-Bromo-2-fluorophenyl)propan-1-one

Similarity: 0.76

Chemical Structure| 123858-51-5

[ 123858-51-5 ]

1-(2-Amino-4-bromophenyl)ethanone

Similarity: 0.76

Bromides

Chemical Structure| 1140-17-6

[ 1140-17-6 ]

(2-Aminophenyl)(4-bromophenyl)methanone

Similarity: 0.79

Chemical Structure| 39859-36-4

[ 39859-36-4 ]

2-Benzoyl-4-bromoaniline

Similarity: 0.79

Chemical Structure| 259750-61-3

[ 259750-61-3 ]

1-(4-Bromo-2-fluorophenyl)propan-1-one

Similarity: 0.76

Chemical Structure| 123858-51-5

[ 123858-51-5 ]

1-(2-Amino-4-bromophenyl)ethanone

Similarity: 0.76

Chemical Structure| 29124-56-9

[ 29124-56-9 ]

1-(2-Amino-5-bromophenyl)ethanone

Similarity: 0.76

Ketones

Chemical Structure| 1140-17-6

[ 1140-17-6 ]

(2-Aminophenyl)(4-bromophenyl)methanone

Similarity: 0.79

Chemical Structure| 39859-36-4

[ 39859-36-4 ]

2-Benzoyl-4-bromoaniline

Similarity: 0.79

Chemical Structure| 1504465-76-2

[ 1504465-76-2 ]

(2-Amino-5-(trifluoromethyl)phenyl)(2-fluorophenyl)methanone

Similarity: 0.78

Chemical Structure| 259750-61-3

[ 259750-61-3 ]

1-(4-Bromo-2-fluorophenyl)propan-1-one

Similarity: 0.76

Chemical Structure| 123858-51-5

[ 123858-51-5 ]

1-(2-Amino-4-bromophenyl)ethanone

Similarity: 0.76

Amines

Chemical Structure| 1140-17-6

[ 1140-17-6 ]

(2-Aminophenyl)(4-bromophenyl)methanone

Similarity: 0.79

Chemical Structure| 39859-36-4

[ 39859-36-4 ]

2-Benzoyl-4-bromoaniline

Similarity: 0.79

Chemical Structure| 1504465-76-2

[ 1504465-76-2 ]

(2-Amino-5-(trifluoromethyl)phenyl)(2-fluorophenyl)methanone

Similarity: 0.78

Chemical Structure| 123858-51-5

[ 123858-51-5 ]

1-(2-Amino-4-bromophenyl)ethanone

Similarity: 0.76

Chemical Structure| 29124-56-9

[ 29124-56-9 ]

1-(2-Amino-5-bromophenyl)ethanone

Similarity: 0.76

; ;