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. 652-39-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 652-39-1
Chemical Structure| 652-39-1
Structure of 652-39-1 * 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 [ 652-39-1 ]

Related Doc. of [ 652-39-1 ]

Alternatived Products of [ 652-39-1 ]
Product Citations

Product Details of [ 652-39-1 ]

CAS No. :652-39-1 MDL No. :MFCD00039696
Formula : C8H3FO3 Boiling Point : -
Linear Structure Formula :- InChI Key :WWJAZKZLSDRAIV-UHFFFAOYSA-N
M.W : 166.11 Pubchem ID :69551
Synonyms :

Calculated chemistry of [ 652-39-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.15
TPSA : 43.37 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.03
Log Po/w (XLOGP3) : 1.39
Log Po/w (WLOGP) : 1.56
Log Po/w (MLOGP) : 2.08
Log Po/w (SILICOS-IT) : 2.25
Consensus Log Po/w : 1.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.12
Solubility : 1.27 mg/ml ; 0.00766 mol/l
Class : Soluble
Log S (Ali) : -1.9
Solubility : 2.07 mg/ml ; 0.0125 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.74
Solubility : 0.304 mg/ml ; 0.00183 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 652-39-1 ]

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

Application In Synthesis of [ 652-39-1 ]

* 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 [ 652-39-1 ]

[ 652-39-1 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 443-82-3 ]
  • [ 652-39-1 ]
  • 2
  • petroleum [ No CAS ]
  • [ 652-39-1 ]
  • [ 42303-42-4 ]
  • 2-(1'-Ethoxycarbonylcyclopropyl)-1,3-dioxo-4-fluoroisoindoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; chloroform; PREPARATION 6 2-(1'-Ethoxycarbonylcyclopropyl)-1,3-dioxo-4-fluoroisoindoline 3-Fluorophthalic anhydride (2.0 g), ethyl 1-aminocyclopropane carboxylate hydrochloride (4.0 g) and triethylamine (4 ml) were stirred in chloroform (30 ml) for 0.5 h. Volatile material was evaporated and the residue was heated at 210 for 0.25 h in a nitrogen atmosphere; the residue was dissolved in THF (insoluble triethylame hydrochloride was discarded) and the ethereal solution was evaporated to dryness. This residue was recrystallized from dichloromethane/light petroleum (40-60) to give the title compound m.p. 164.
  • 3
  • [ 117-21-5 ]
  • [ 652-39-1 ]
YieldReaction ConditionsOperation in experiment
69% With potassium fluoride; (A) A mixture of 20 parts of <strong>[117-21-5]3-chlorophthalic anhydride</strong>, and 20 parts of anhydrous potassium fluoride was heated and maintained at about 235 C. for about 9 hours. The reaction mixture was then cooled and the crude product removed by vaccum distillation and recrystallized from chloroform to yield 12.65 parts of purified 3-fluorophthalic anhydride (69% yield).
99 g In a 1L three-necked flask, add 500ml of sulfolane, and then add 180g of <strong>[117-21-5]3-chlorophthalic anhydride</strong> to it,The ice bath is cooled to below 10C, and 280g of thionyl chloride is added dropwise to it. After the dropping is completed, the temperature is raised to about 100C to react for 3 hours, the temperature is lowered to room temperature, and the thionyl chloride is removed by rotary evaporation.Then 180g of anhydrous potassium fluoride was added to it. After adding potassium fluoride, the system was heated to 100C for 6 hours, and then cooled to room temperature. The inorganic salt was filtered off with suction. The filtrate was slowly poured into 900ml of ice water to precipitate a large amount of solids. Continue to stir for 2 hours and filter with suction to obtain the filter cake,Dry under vacuum to obtain crude 3-fluorophthalic anhydride.Dissolve the crude 3-fluorophthalic anhydride with 800ml of dichloromethane, dry with anhydrous magnesium sulfate, and filter with suction.Rotate the filter cake until solids are precipitated, add 2L of petroleum ether to it, continue to stir for 1 hour, and filter with suction.The filter cake is vacuum dried,99g of pure 3-fluorophthalic anhydride was obtained.
  • 4
  • [ 652-39-1 ]
  • [ 51108-29-3 ]
YieldReaction ConditionsOperation in experiment
95% With formamide; In neat (no solvent); for 0.333333h;Milling; Heating; Green chemistry; General procedure: A mixture of anhydride (1 mmol), formamide (1.1 mmol for monoanhydrides and 2.2 mmol for dianhydrides) and 1 g clay was ground together in a mortar using pestle for the time described in Table 1. The reaction mixture was warmed. After completing the reaction (monitored by TLC, after observing no anhydride presence in the reaction mixture), the product was extracted by washing clay with chloroform (2×15 mL), the solvent was removed under vacuum to afford the relevant N-unsubstituted cyclic imide. The solid imide was washed thoroughly with water, dried, and then recrystallized from ethanol. The solid clay portion was washed with methanol and dried at 120 C under a reduced pressure to be reused in the subsequent reactions which showed the gradual decrease in the activity (Table 1). Isolated products were characterized by melting points, IR, 1H NMR spectrometric data and were compared with the literature or authentic samples.
83% With formamide; at 130℃; for 1h;Inert atmosphere; Under argon, 10.0 g (60.2 mmol) of 4-fluoro-2-benzofuran-1,3-dione were stirred at 130 C. in 50 ml of formamide for 1 h. The cooled reaction mixture was then added to ice-water. A solid precipitated out. This solid was filtered off with suction and washed with water. The product was dried under high vacuum. This gave 8.3 g (83% of theory) of the target compound.LC-MS (method 11): Rt=0.57 min; m/z=166 (M+H)+.1H-NMR (400 MHz, DMSO-d6): δ=11.47 (br. s, 1H), 7.87 (td, 1H), 7.69-7.61 (m, 2H).
73% With formamide; at 125℃; for 1 - 5h; The best result occurs when the starting material is run 0.5 M in formamide and heated to 125 C for 1 to 5 h depending on scale. Starting material is not soluble in fonnamide until the temperature is > 60 C. Upon completion of reaction as monitored by LC/MS (apcineg), the heat is removed and 3 times the volume of the reaction of water is added. Next, the reaction is allowed to warm to room temperature and stirred until a pale yellow precipitate has formed. The yellow solid product is filtered off and washed with water before drying overnight to give yields between 70-77 %.
With ammonia; In water; at 280℃; for 0.5h; In a 50 ml flask was placed 3-Fluorophthalic anhydride (1.0 g, 6 mmol) and aqueous NH3 (1.6 g, 24 mmol). The mixture was heated to 280 0C within 30 minutes and then the flask was cooled to room temperature. 0.93 g of compound 13 were isolated as a yellow solid. LC-MS (ESI, positive): 166 [M+H]+.

Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 652-39-1 ]

Fluorinated Building Blocks

Chemical Structure| 652-40-4

[ 652-40-4 ]

4,7-Difluoroisobenzofuran-1,3-dione

Similarity: 1.00

Chemical Structure| 708-25-8

[ 708-25-8 ]

Ethyl 2,5-difluorobenzoate

Similarity: 0.96

Chemical Structure| 108928-00-3

[ 108928-00-3 ]

Ethyl 2,4-difluorobenzoate

Similarity: 0.95

Chemical Structure| 1640117-38-9

[ 1640117-38-9 ]

Ethyl 3-fluoro-4-formylbenzoate

Similarity: 0.93

Chemical Structure| 114312-57-1

[ 114312-57-1 ]

Ethyl 3-fluoro-2-methylbenzoate

Similarity: 0.93

Anhydrides

Chemical Structure| 652-40-4

[ 652-40-4 ]

4,7-Difluoroisobenzofuran-1,3-dione

Similarity: 1.00

Chemical Structure| 25569-77-1

[ 25569-77-1 ]

4-Fluorobenzoic anhydride

Similarity: 0.89

Chemical Structure| 18959-30-3

[ 18959-30-3 ]

4,5-Difluorophthalic Anhydride

Similarity: 0.86

Chemical Structure| 13222-85-0

[ 13222-85-0 ]

4-Methylbenzoic anhydride

Similarity: 0.71

Chemical Structure| 93-97-0

[ 93-97-0 ]

Benzoic anhydride

Similarity: 0.71

Esters

Chemical Structure| 652-40-4

[ 652-40-4 ]

4,7-Difluoroisobenzofuran-1,3-dione

Similarity: 1.00

Chemical Structure| 708-25-8

[ 708-25-8 ]

Ethyl 2,5-difluorobenzoate

Similarity: 0.96

Chemical Structure| 108928-00-3

[ 108928-00-3 ]

Ethyl 2,4-difluorobenzoate

Similarity: 0.95

Chemical Structure| 1640117-38-9

[ 1640117-38-9 ]

Ethyl 3-fluoro-4-formylbenzoate

Similarity: 0.93

Chemical Structure| 114312-57-1

[ 114312-57-1 ]

Ethyl 3-fluoro-2-methylbenzoate

Similarity: 0.93

Related Parent Nucleus of
[ 652-39-1 ]

Benzofurans

Chemical Structure| 652-40-4

[ 652-40-4 ]

4,7-Difluoroisobenzofuran-1,3-dione

Similarity: 1.00

Chemical Structure| 18959-30-3

[ 18959-30-3 ]

4,5-Difluorophthalic Anhydride

Similarity: 0.86

Chemical Structure| 23932-84-5

[ 23932-84-5 ]

6-Fluoroisobenzofuran-1(3H)-one

Similarity: 0.82

Chemical Structure| 700-85-6

[ 700-85-6 ]

5-Fluoroisobenzofuran-1(3H)-one

Similarity: 0.82

Chemical Structure| 1255208-34-4

[ 1255208-34-4 ]

5-Bromo-7-fluoroisobenzofuran-1(3H)-one

Similarity: 0.81

; ;