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. 85068-29-7 ] {[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| 85068-29-7
Chemical Structure| 85068-29-7
Structure of 85068-29-7 * 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 [ 85068-29-7 ]

Related Doc. of [ 85068-29-7 ]

Alternatived Products of [ 85068-29-7 ]
Product Citations

Product Details of [ 85068-29-7 ]

CAS No. :85068-29-7 MDL No. :MFCD00009909
Formula : C9H7F6N Boiling Point : -
Linear Structure Formula :- InChI Key :DHVHORCFFOSRBP-UHFFFAOYSA-N
M.W : 243.15 Pubchem ID :521099
Synonyms :
Chemical Name :(3,5-Bis(trifluoromethyl)phenyl)methanamine

Calculated chemistry of [ 85068-29-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.12
TPSA : 26.02 ?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) : -5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.99
Log Po/w (XLOGP3) : 2.55
Log Po/w (WLOGP) : 5.34
Log Po/w (MLOGP) : 3.6
Log Po/w (SILICOS-IT) : 3.55
Consensus Log Po/w : 3.41

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.225 mg/ml ; 0.000926 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.439 mg/ml ; 0.0018 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.22
Solubility : 0.0146 mg/ml ; 0.00006 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.46

Safety of [ 85068-29-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501 UN#:3259
Hazard Statements:H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 85068-29-7 ]

* 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 [ 85068-29-7 ]

[ 85068-29-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 24310-36-9 ]
  • [ 85068-29-7 ]
  • [ 851045-75-5 ]
YieldReaction ConditionsOperation in experiment
Step 2. Preparation of (+/-) (3, 5-Bis-trifluoromethyl-benzyl)- [1- (toluene-4-sulfonyl)- 2,3, 4, 5-tetrahydro-1H-benzo [b] azepin-5-yl]-amine. A mixture of (+/-) 1- (Toluene-4-sulfonyl)-1, 2,3, 4-tetrahydro-benzo [b] azepin-5- one (500 mg, 1.58 mmol), 3,5-Bis (trifluoromethyl) benzylamine (423 mg, 1.74 mmol) and titanium (IV) isopropoxide (0.59 ml, 1.97 mmol) in diglyme (2 ml) is stirred at room temperature for 22 hours. The mixture is diluted with methanol (7 ml) and treated with sodium borohydride (90 mg, 2.37 mmol), then stirred at room temperature for 6 hours. The mixture is treated with 0. 1N aqueous NaOH (15 ml) and stirred for 10 minutes, then filtered. The filter cake is washed with 1: 1 ethanol : diethyl ether. The filtrate is diluted with water (70 ml) and extracted with ethyl acetate (2x30 ml). The combined organic extracts are washed with brine, dried (Na2SO4) and concentrated to an oil. The oil is < purified by silica gel column chromatography (eluent, 15 % ethyl acetate in hexanes) to give the title compound as a solid. Mass spectrum (ES+): 543 (M+H).
  • 2
  • [ 85068-29-7 ]
  • [ 2972-52-3 ]
  • [ 188781-27-3 ]
YieldReaction ConditionsOperation in experiment
61% Example 40 2,4-DICHLORO-5-N-[3',5'-BIS(TRIFLUOROMETHYL)BENZYL]PYRIMIDINE-5-CARBOXAMIDE The title compound was prepared as described in Example 1, but employing 2,4-dichloropyrimidine-5-carbonylchloride (0.10 g, 0.40 mmol) and 3,5-bistrifluoromethylbenzylamine (0.10 g, 0.45 mmol) to give the compound in a 61% yield (0.12 g); m.p. 144-145 C.
  • 3
  • [ 47375-34-8 ]
  • [ 85068-29-7 ]
  • C27H32F6N2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With acetic acid; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; General procedure: 3,5-Bis(trifluoromethyl)benzylamine (1.0 equiv., 0.125 mmol,30.5 mg) was added to a solution of Boc-AA-OH (AA Tyr, 1.0 equiv.,0.125 mmol, 42 mg for Tyr), HATU (1.0 equiv., 0.125 mmol, 47.5 mg),HOAc (1.0 equiv., 0.125 mmol, 17 mg) and DIEA (4.0 equiv.,0.500 mmol, 0.087 mL) in dry DMF (1.25 mL) at room temperature. Thereaction mixture was stirred for overnight (20 h) and then quenched with 0.5Maqueous solution of KHSO4 (5 mL). It was then extracted with DCM(3 15 mL). The combined organic part was subsequently washed withbrine, saturated sodium bicarbonate and again brine. Evaporation ofDCM under reduced pressure using rotary evaporator gave the crudeproduct in quantitative yield. The Boc group was removed by treating theproduct with 80% TFA in DCM for 1 h at room temperature [36] Removalof volatiles provided the unprotected bis(trifluoromethyl)benzylaminederivative of the respective single amino acid. Washing with 1:4 solutionsof ether and hexanes (3 10 mL) provided the final product in >80%yield with <95% (HPLC)
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 85068-29-7 ]

Fluorinated Building Blocks

Chemical Structure| 3300-51-4

[ 3300-51-4 ]

4-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 2740-83-2

[ 2740-83-2 ]

3-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 3048-01-9

[ 3048-01-9 ]

(2-(Trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 0.92

Chemical Structure| 127852-21-5

[ 127852-21-5 ]

(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine

Similarity: 0.90

Aryls

Chemical Structure| 3300-51-4

[ 3300-51-4 ]

4-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 2740-83-2

[ 2740-83-2 ]

3-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 3048-01-9

[ 3048-01-9 ]

(2-(Trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 0.92

Chemical Structure| 127852-21-5

[ 127852-21-5 ]

(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine

Similarity: 0.90

Amines

Chemical Structure| 3300-51-4

[ 3300-51-4 ]

4-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 2740-83-2

[ 2740-83-2 ]

3-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 3048-01-9

[ 3048-01-9 ]

(2-(Trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 0.92

Chemical Structure| 127852-21-5

[ 127852-21-5 ]

(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine

Similarity: 0.90

Trifluoromethyls

Chemical Structure| 3300-51-4

[ 3300-51-4 ]

4-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 2740-83-2

[ 2740-83-2 ]

3-(Trifluoromethyl)benzylamine

Similarity: 1.00

Chemical Structure| 3048-01-9

[ 3048-01-9 ]

(2-(Trifluoromethyl)phenyl)methanamine

Similarity: 1.00

Chemical Structure| 90390-11-7

[ 90390-11-7 ]

N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine

Similarity: 0.92

Chemical Structure| 127852-21-5

[ 127852-21-5 ]

(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine

Similarity: 0.90

; ;