天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 574-98-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 574-98-1
Chemical Structure| 574-98-1
Structure of 574-98-1 * 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 [ 574-98-1 ]

Related Doc. of [ 574-98-1 ]

Alternatived Products of [ 574-98-1 ]
Product Citations

Product Details of [ 574-98-1 ]

CAS No. :574-98-1 MDL No. :MFCD00005902
Formula : C10H8BrNO2 Boiling Point : No data available
Linear Structure Formula :BrCH2CH2N(C(O))2C6H4 InChI Key :CHZXTOCAICMPQR-UHFFFAOYSA-N
M.W : 254.08 Pubchem ID :11325
Synonyms :

Calculated chemistry of [ 574-98-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.4
TPSA : 37.38 ?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) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.98
Log Po/w (XLOGP3) : 2.25
Log Po/w (WLOGP) : 1.3
Log Po/w (MLOGP) : 2.3
Log Po/w (SILICOS-IT) : 2.26
Consensus Log Po/w : 2.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.02
Solubility : 0.244 mg/ml ; 0.00096 mol/l
Class : Soluble
Log S (Ali) : -2.67
Solubility : 0.542 mg/ml ; 0.00213 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.73
Solubility : 0.0475 mg/ml ; 0.000187 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.62

Safety of [ 574-98-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 574-98-1 ]

* 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 [ 574-98-1 ]

[ 574-98-1 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 574-98-1 ]
  • [ 95445-79-7 ]
  • [ 3485-84-5 ]
  • [ 89634-75-3 ]
  • [ 117751-90-3 ]
  • [ 117752-00-8 ]
  • 2
  • [ 574-98-1 ]
  • [ 95445-79-7 ]
  • [ 3485-84-5 ]
  • [ 89634-75-3 ]
  • [ 117751-90-3 ]
  • [ 117752-01-9 ]
  • 3
  • [ 574-98-1 ]
  • [ 127561-18-6 ]
  • [ 139722-72-8 ]
YieldReaction ConditionsOperation in experiment
33% With sodium carbonate; In dichloromethane; b. A mixture of 69.3 g of <strong>[127561-18-6]1-[6-(trifluoromethyl)-2-pyridinyl]piperazine</strong>, and 129.6 g of N-(2-bromoethyl)phthalimide and 57.2 g of sodium carbonate is heated at reflux for 23 hours. The resulting precipitate is filtered off and the ethanol evaporated. The concentrate is dissolved in dichloromethane, washed with water, dried over magnesium sulfate, and evaporated. The resulting precipitate is recrystallized from isopropanol to give 39.5 g of 2-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl]-1H-isoindole-1,3-dione (yield 33%).
  • 4
  • [ 6971-44-4 ]
  • [ 574-98-1 ]
  • [ 903880-36-4 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 16h; Step II: Preparation of 2-[2-(methylpyridin-4-ylmethylamino) ethylisoindole-l,3-dione; Potassium carbonate (55.2 mmol) and 2-bromoethylfthalimide (66.2 mmol) was added to a solution of N* l*-pyridin-4-yl-methylethane-l, 2-diamine (55.2 mmol) in EPO <DP n="82"/>dimethylformamide (50 mL). The reaction mixture was heated to 800C and stirred for about 16 hours. The reaction mixture was cooled to ambient temperature, poured into water and extracted with dichloromethane. The organic layer was washed with water, dried over anhydrous sodium sulfate and concentrated under reduced pressure to yield the title product.
  • 5
  • [ 574-98-1 ]
  • [ 145091-87-8 ]
  • [ 1608125-62-7 ]
YieldReaction ConditionsOperation in experiment
24% In 1,4-dioxane; at 180℃; for 1h;Microwave irradiation; Compound 42 (500 mg, 5.10 mmol) and N-(2-bromoethyl)-phthalimide (1.29 g, 5.58 mmol) were suspended in 1,4-dioxane (3 mL) in a microwave reaction vial containing a Teflon stir bar. The vial was capped and the reaction mixture was irradiated with microwaves at 180 C for 1 h at normal absorption with cooling activated. The reaction solvent was evaporated under vacuum, and the crude was purified by flash chromatography on silica gel using gradient 0-10% methanol in dichloromethane to afford product 43 (335 mg, 24%); 1H NMR (CDCl3) δ 1.98 (s, 3H), 3.10 (s, 2H), 3.94 (s, 4H), 7.68-7.70 (m, 2H), 7.80-7.82 (m, 2H).
In 1,4-dioxane; at 180℃;Microwave irradiation; Compound 42 (500 mg) and /V-(2-bromo ethyl)-phthalimide (1.3 g) were suspended in 1 ,4-dioxane (3mL) in a Biotage Initiator microwave reaction vial containing a Teflon stir bar. The vial was capped and the reaction mixture was transferred to the microwave and irradiated at 180 C at normal absorption with cooling activated. The reaction solvent was evaporated and the resulting crude was purified by flash chromatography on silica gel using gradient 0-10% MeOH-DCM to afford product 43.
  • 6
  • [ 574-98-1 ]
  • [ 35344-95-7 ]
  • 1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-pyrazole-4-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
14% With caesium carbonate; In acetonitrile; at 150℃; for 0.666667h;Microwave irradiation; 1-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-<strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> In a 30-mL vial, <strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> (2.0 g, 20.81 mmol, 1.00 equiv), 2-(2-bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione (6.3 g, 24.98 mmol, 1.20 equiv) and Cs2CO3 (13.5 g, 41.63 mmol, 2.00 equiv) were mixed in CH3CN (10 mL) at room temperature. The resulting mixture was irradiated with microwave for 40 min at 150° C. After the reaction was done, the reaction mixture was cooled to room temperature, diluted with 10 mL water and extracted with ethyl acetate (3*10 ml). The organic layers were combined, dried over sodium sulfate and concentrated under reduced pressure. The residue was purified in a silica gel column eluting with ethyl acetate in petroleum ether (1percent to 50percent gradient) to afford 1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-<strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> (800 mg, 14percent) as white solid. MS: m/z=270.0 [M+H]+.
  • 7
  • [ 574-98-1 ]
  • [ 57184-23-3 ]
  • C21H29N3O2 [ No CAS ]
  • 8
  • [ 574-98-1 ]
  • [ 31191-08-9 ]
  • (N-2-(6-formyl-3-pyridinyl)oxo-ethyl)phthalimide [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% With potassium carbonate; In N,N-dimethyl-formamide; at 70℃; for 24h; <strong>[31191-08-9]5-hydroxy-2-pyridinecarboxaldehyde</strong> (1 eq.), N-(2-Bromoethyl)phthalimide (1 eq, 6.2 mmol) and K2CO3 (4 eq.) were dissolved in dry DMF (20 ml) and resulting mixture was heated at 70 C for 24 h. After evaporation of DMF, the residue was dissolved in CH2Cl2 and washed with water. The organic phase was collected and water phase was re-extracted two times with CH2Cl2. The organic phases was evaporated and the crude product purified by flash chromatography on silica (gradient of EtOAc : Petrol ether 1:4 to 2:1). The product was obtained as white solid in 63% yield. 1H-NMR (400MHz, CDCl3): 9.97 (s, 1 H); 8.40 (d, J = 2.7, 1 H); 7.93 (d, J = 8.8, 1 H); 7.89 (q, J = 2.8, 2 H); 7.75 (q, J = 2.8, 2 H); 7.30 (dd, J = 8.6, J = 2.6 , 1 H); 4.38 (t, J = 5.6, 2 H); 4.17 (t, J = 5.6, 2 H); 13C NMR (100MHz, CDCl3): 191.92, 168.04, 157.69, 146.70, 138.73, 134.28, 131.89, 123.54, 123.25, 120.80, 65.44, 36.88, ESI-MS: 297.0825, calc 297.0870 (M+H+) M.p.: 139-140C
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
[ 574-98-1 ]

Bromides

Chemical Structure| 5394-18-3

[ 5394-18-3 ]

2-(4-Bromobutyl)isoindoline-1,3-dione

Similarity: 0.85

Chemical Structure| 17702-83-9

[ 17702-83-9 ]

2-(8-Bromooctyl)isoindoline-1,3-dione

Similarity: 0.84

Chemical Structure| 954-81-4

[ 954-81-4 ]

N-(5-Bromopentyl)phthalimide

Similarity: 0.84

Chemical Structure| 5460-29-7

[ 5460-29-7 ]

N-(3-Bromopropyl)phthalimide

Similarity: 0.84

Chemical Structure| 5332-26-3

[ 5332-26-3 ]

2-(Bromomethyl)isoindoline-1,3-dione

Similarity: 0.81

; ;