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. 348-61-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 348-61-8
Chemical Structure| 348-61-8
Structure of 348-61-8 * 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 [ 348-61-8 ]

Related Doc. of [ 348-61-8 ]

Alternatived Products of [ 348-61-8 ]
Product Citations

Product Details of [ 348-61-8 ]

CAS No. :348-61-8 MDL No. :MFCD00000304
Formula : C6H3BrF2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :YMQPKONILWWJQG-UHFFFAOYSA-N
M.W : 192.99 Pubchem ID :67675
Synonyms :

Calculated chemistry of [ 348-61-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 34.06
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.11
Log Po/w (XLOGP3) : 3.11
Log Po/w (WLOGP) : 3.57
Log Po/w (MLOGP) : 3.91
Log Po/w (SILICOS-IT) : 3.38
Consensus Log Po/w : 3.21

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.49
Solubility : 0.0626 mg/ml ; 0.000324 mol/l
Class : Soluble
Log S (Ali) : -2.78
Solubility : 0.321 mg/ml ; 0.00167 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.81
Solubility : 0.0298 mg/ml ; 0.000155 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 348-61-8 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P272-P273-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P333+P313-P370+P378-P391-P403+P235-P501 UN#:1993
Hazard Statements:H225-H302+H332-H315-H317-H411 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 348-61-8 ]

* 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 [ 348-61-8 ]

[ 348-61-8 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 56309-94-5 ]
  • [ 348-61-8 ]
  • 4-[4-hydroxy-4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone ethyleneacetal [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ammonium chloride; magnesium; In tetrahydrofuran; a) A Grignard solution of 0.706 g of magnesium and 6.0 g of 1-bromo-3.4-difluorobenzene in 14 ml of tetrahydrofuran was treated dropwise at 0° C. within 30 minutes with a solution of 5.55 g of 8-(4-oxocyclohexyl)-1,4-dioxaspiro-[4.5]decane in 23 ml of tetrahydrofuran. The reaction mixture was stirred at room temperature for a further 2 hours Subsequently, the reaction mixture was treated with 39 ml of 10percent ammonium chloride solution while cooling and, then, extracted three times with diethyl ether. The organic phases where washed twice with 10percent sodium chloride solution, dried over sodium sulfate, filtered and concentrated. There were thus obtained 7.8 g of crude 1-(3,4-difluorophenyl)-4-(1,4-dioxa-8-spiro[4.5]decyl)cyclohexanol.
  • 2
  • [ 156353-01-4 ]
  • [ 348-61-8 ]
  • 4-(2,3-difluorobenzoyl)oxane [ No CAS ]
  • 4-(3,4-difluorobenzoyl)oxane [ No CAS ]
YieldReaction ConditionsOperation in experiment
37%; 14% Step 1: 4-(2,3-Difluorobenzoyl)oxaneA solution of 4-bromo-1,2-difluorobenzene (2.40 g, 12.4 mmol) in tetrahydrofuran (20 mL) in a RB flask was cooled to -78 C in a dry ice and acetone bath and treated slowly drop wise via syringe with nBuLi, 2.5 M in hexanes (4.97 mL, 12.4 mmol) and stirred for 20 mm in bath. The mixture was then treated with a solution of Nmethoxy-N-methyloxane-4-carboxamide (0.718 g, 4.15 mmol) in 2 mL of tetrahydrofuranvia syringe to give a light-brown solution. After 1 h, the mixture was quenched with sat. aq. NH4C1 and extracted into ethyl acetate. The organics were washed with water and brine, and the volatiles were concentrated to give an oil. Analysis by LCMS shows 2 isomeric products formed. The material was purified by silica gel colunm chromatography on an ISCO Companion (40 g silica gel column) and eluted with anEtOAc/hexane hexane gradient (0-50%). The fractions containing the major isomer were collected, and the volatiles were removed to give 4-(2,3-difluorobenzoyl)oxane (350 mg, 37%) as a colorless oil. ?H NMR (400MHz, CDC13) oe 7.54 (ddt, J7.9, 6.1, 1.7 Hz, 1H), 7.37(dtd,J=9.5, 8.0, 1.7 Hz, 1H), 7.20 (tdd,J8.1, 4.6, 1.4 Hz, 1H), 4.05 (dt,J11.4, 3.5 Hz, 2H), 3.55 (td,J=11.3, 2.9 Hz, 2H), 3.42-3.30 (m, 1H), 1.93-1.74 (m, 4H). Thefractions containing the minor isomer were collected, and the volatiles were removed to give 4-(3,4-difluorobenzoyl)oxane (130 mg, 14%) as a colorless oil. ?H NMR (400MHz, CDC13) oe 7.83-7.70 (m, 2H), 7.33-7.22 (m, 1H), 4.11-4.01 (m, 2H), 3.56 (td,J=11.6, 2.5 Hz, 2H), 3.43 (if, J=11.0, 4.0 Hz, 1H), 1.95-1.82 (m, 2H), 1.81-1.71 (m, 2H).
  • 3
  • [ 156353-01-4 ]
  • [ 348-61-8 ]
  • 4-(3,4-difluorobenzoyl)oxane [ No CAS ]
YieldReaction ConditionsOperation in experiment
32% Step 1: 4-(3,4-Difluorobenzoyl)oxaneTo a solution of 4-bromo-1,2-difluorobenzene (1.18 mL, 10.4 mmol) in dry THF (50 mL) was added isopropylmagnesium chloride (5.21 mL, 10.4 mmol) via syringe and then stirred at room temperature for 2 h. A etheral solution of N-methoxy-Nmethyloxane-4-carboxamide (1.64 g, 9.47 mmol) was added, and the reactin mixture was stirred at room temperature for 16 h. The reaction mixture was quenched with water (20mL) and extracted with ethyl acetate. The combined organic layers were washed with brine, dried over Na2SO4, and concentrated. The crude residue was also purified (24 g combiflash columiilcompound absorbed on silica, eluted at 10-15% EA in petroleum ether) to obtain 4-(3,4-difluorobenzoyl)oxane (700 mg, 32 %) as a colorless oil. ?H NMR (400MHz, CDC13) oe 7.83-7.70 (m, 2H), 7.33-7.22 (m, 1H), 4.11-4.01 (m, 2H), 3.56 (td,J=11.6, 2.5 Hz, 2H), 3.43 (tt,J=11.0, 4.0 Hz, 1H), 1.95-1.82 (m, 2H), 1.81-1.71 (m, 2H).
32% To a solution of 4-bromo-1,2-difluorobenzene (1.18 mL, 10.4 mmol) in dry THF (50 mL) was added isopropylmagnesium chloride (5.21 mL, 10.4 mmol) via syringe and then stirred at room temperature for 2 h. A etheral solution of <strong>[156353-01-4]N-methoxy-N-methyloxane-4-carboxamide</strong> (1.64 g, 9.47 mmol) was added, and the reactin mixture was stirred at room temperature for 16 h. The reaction mixture was quenched with water (20 mL) and extracted with ethyl acetate. The combined organic layers were washed with brine, dried over Na2SO4, and concentrated. The crude residue was also purified (24 g combiflash column/compound absorbed on silica, eluted at 10-5% EA in petroleum ether) to obtain 4-(3,4-difluorobenzoyl)oxane (700 mg, 32%) as a colorless oil. 1H NMR (400 MHz, CDCl3) delta 7.83-7.70 (m, 2H), 7.33-7.22 (m, 1H), 4.11-4.01 (m, 2H), 3.56 (td, J=11.6, 2.5 Hz, 2H), 3.43 (tt, J=11.0, 4.0 Hz, 1H), 1.95-1.82 (m, 2H), 1.81-1.71 (m, 2H).
  • 4
  • [ 156353-01-4 ]
  • [ 348-61-8 ]
  • (3,4-difluorophenyl)(oxan-4-yl)methanol [ No CAS ]
  • 5
  • [ 156353-01-4 ]
  • [ 348-61-8 ]
  • 4-(2,3-difluorobenzoyl)oxane [ No CAS ]
YieldReaction ConditionsOperation in experiment
37% With n-butyllithium; In tetrahydrofuran; hexane; for 0.333333h;Cooling with acetone-dry ice; A solution of 4-bromo-1,2-difluorobenzene (2.40 g, 12.4 mmol) in tetrahydrofuran (20 mL) in a RB flask was cooled to -78 C. in a dry ice and acetone bath and treated slowly drop wise via syringe with nBuLi, 2.5 M in hexanes (4.97 mL, 12.4 mmol) and stirred for 20 min in bath. The mixture was then treated with a solution of <strong>[156353-01-4]N-methoxy-N-methyloxane-4-carboxamide</strong> (0.718 g, 4.15 mmol) in 2 mL of tetrahydrofuran via syringe to give a light-brown solution. After 1 h, the mixture was quenched with sat. aq. NH4Cl and extracted into ethyl acetate. The organics were washed with water and brine, and the volatiles were concentrated to give an oil. Analysis by LCMS shows 2 isomeric products formed. The material was purified by silica gel column chromatography on an ISCO Companion (40 g silica gel column) and eluted with an EtOAc/hexane hexane gradient (0-50%). The fractions containing the major isomer were collected, and the volatiles were removed to give 4-(2,3-difluorobenzoyl)oxane (350 mg, 37%) as a colorless oil. 1H NMR (400 MHz, CDCl3) delta 7.54 (ddt, J=7.9, 6.1, 1.7 Hz, 1H), 7.37 (dtd, J=9.5, 8.0, 1.7 Hz, 1H), 7.20 (tdd, J=8.1, 4.6, 1.4 Hz, 1H), 4.05 (dt, J=11.4, 3.5 Hz, 2H), 3.55 (td, J=11.3, 2.9 Hz, 2H), 3.42-3.30 (m, 1H), 1.93-1.74 (m, 4H). The fractions containing the minor isomer were collected, and the volatiles were removed to give 4-(3,4-difluorobenzoyl)oxane (130 mg, 14%) as a colorless oil. 1H NMR (400 MHz, CDCl3) delta 7.83-7.70 (m, 2H), 7.33-7.22 (m, 1H), 4.11-4.01 (m, 2H), 3.56 (td, J=11.6, 2.5 Hz, 2H), 3.43 (tt, J=11.0, 4.0 Hz, 1H), 1.95-1.82 (m, 2H), 1.81-1.71 (m, 2H).
  • 6
  • [ 156353-01-4 ]
  • [ 348-61-8 ]
  • (2,3-difluorophenyl)(oxan-4-yl)methanol [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;