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. 877173-84-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 877173-84-7
Chemical Structure| 877173-84-7
Structure of 877173-84-7 * 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 [ 877173-84-7 ]

Related Doc. of [ 877173-84-7 ]

Alternatived Products of [ 877173-84-7 ]
Product Citations

Product Details of [ 877173-84-7 ]

CAS No. :877173-84-7 MDL No. :MFCD12755892
Formula : C6H3BrClN3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :LZWBPGVLNBNKSM-UHFFFAOYSA-N
M.W : 232.47 Pubchem ID :21897627
Synonyms :

Calculated chemistry of [ 877173-84-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.7
TPSA : 30.19 ?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) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.83
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 2.15
Log Po/w (MLOGP) : 1.95
Log Po/w (SILICOS-IT) : 1.8
Consensus Log Po/w : 1.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.13
Solubility : 0.171 mg/ml ; 0.000734 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 1.34 mg/ml ; 0.00576 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.15 mg/ml ; 0.000647 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.86

Safety of [ 877173-84-7 ]

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

Application In Synthesis of [ 877173-84-7 ]

* 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 [ 877173-84-7 ]

[ 877173-84-7 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 3731-51-9 ]
  • [ 877173-84-7 ]
  • [ 924902-37-4 ]
YieldReaction ConditionsOperation in experiment
91% With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 80℃; The amine (1.1 equivalents) and 1.5 equivalents of diisopropylethylamine in isopropanol at a total concentration of 1M were heated overnight at 80 0C. The reaction mixture was concentrated, washed with water, filtered, and the resulting solid partitioned between ethyl acetate or dichloromethane and water. After a further water wash, and a citirc acid wash with amines possessing no additional basic functionality, the organic layer was dried then concentrated to give the crude 7-substituted amino-3- bromopyrazolo[1 ,5a]pyrimidine in good yield. The purity of this material was sufficient for use in the next stage cross-couipling reaction. As Example 1, the use of 2- aminomethylpyidine gave 7- aminomethyl-3-bromopyrazolo[1 ,5a]pyrimidine in 91% yield and 99% purity (MS: m/z 306/304 [M+H]+).
  • 2
  • [ 27757-85-3 ]
  • [ 877173-84-7 ]
  • [ 924902-39-6 ]
YieldReaction ConditionsOperation in experiment
92% With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 80℃; for 16.0h; To a solution of 3-bromo-7-chloropyrazolo[1 ,5-a]pyrimidine (9.63 g, 41.5 mmol) and diisopropylethylamine (10.9 ml_, 62.3 mmol) in 2-propanol (42 ml_) was added 2- EPO <DP n="47"/>(aminomethyl)thiophene (5.6 g, 49.8 mmol): After heating for 16 h at 80 0C, the reaction mixture was concentrated and the residue partitioned between dichloromethane and water. After separation, the organic phase was washed with 10% citric acid and brine, dried and concentrated to yield the desired 3-bromo-7-(2- thiophenemethylamino)pyrazolo[1 ,5-a]pyrimidine (11.49 g, 92%) as a brown solid. HPLC 99%; 1H NMR (250 MHz, CDCI3) delta 8.88 (t, J = 6.4 Hz, 1H), 8.25 (s, 1H), 8.18 (d, J = 5.3 Hz, 1 H), 7.38 (dd, J = 1.3, 5.1 Hz, 1H), 7.13 (dd, J = 1.3, 3.4 Hz, 1H), 6.95 (dd, J = 3.4, 5.1 Hz, 1H), 6.29 (d, J = 5.3 Hz, 1H), 4.80 (d, J = 6.4 Hz, 2H); 13C NMR (62.9 MHz, CDCI3) delta 150.5, 146.7, 145.5, 143.1, 140.8, 126.8, 126.2, 125.4, 86.5, 81.0, 40.0; MS (APCI) 311/309 [M+H]+.
  • 3
  • [ 58347-49-2 ]
  • [ 877173-84-7 ]
YieldReaction ConditionsOperation in experiment
76% With N-Bromosuccinimide; In dichloromethane; at 0 - 20℃; for 16.0h; A solution of crude 7-chloropyrazolo[1,5-a]pyrimidine (44.2 g, 289 mmol) in dichloromethane (289 mL) was cooled to 0 0C using an ice bath. Lambda/-bromosuccinimide(51.4 g, 289 mmol) was added slowly to the solution that was stirred for 16 h at room temperature. The dark orange solution was diluted with dichloromethane (200 mL) and was washed with 10% potassium carbonate solution (3 x 150 mL) and brine (100 mL).The organic phase was dried and concentrated to give a dark orange solid, which was triturated using MeOH to yield the desired product, 3-bromo-7-chloropyrazolo[1,5- EPO <DP n="46"/>a]pyrimidine (50.9 g, 76%) as a yellow solid. HPLC 96%; lH NMR (250 MHz, CDCI3) delta 8.49 (d, J = 5.2 Hz, 1H), 8.25 (s, 1H), 7.07 (d, J = 5.2 Hz, 1H); 13C NMR (62.9 MHz, DMSO) delta 150.4, 145.9, 144.7, 138.5, 109.5, 84.7.
  • 4
  • [ 29274-23-5 ]
  • [ 877173-84-7 ]
  • 5
  • [ 877173-84-7 ]
  • 3-[(3R,4R)-4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropanenitrile hydrochloride [ No CAS ]
  • 3-[(3R,4R)-3-({3-bromopyrazolo[1,5-a]pyrimidin-7-yl}(methyl)amino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile [ No CAS ]
  • 6
  • [ 29274-18-8 ]
  • [ 877173-84-7 ]
  • 7
  • [ 197367-75-2 ]
  • [ 877173-84-7 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 877173-84-7 ]

Bromides

Chemical Structure| 114040-06-1

[ 114040-06-1 ]

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine

Similarity: 0.87

Chemical Structure| 55405-67-9

[ 55405-67-9 ]

3-Bromopyrazolo[1,5-a]pyrimidine

Similarity: 0.83

Chemical Structure| 705263-10-1

[ 705263-10-1 ]

6-Bromopyrazolo[1,5-a]pyrimidine

Similarity: 0.78

Chemical Structure| 960613-96-1

[ 960613-96-1 ]

3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine

Similarity: 0.76

Chemical Structure| 1211578-31-2

[ 1211578-31-2 ]

6-Bromo-3-methylpyrazolo[1,5-a]pyrimidine

Similarity: 0.73

Chlorides

Chemical Structure| 114040-06-1

[ 114040-06-1 ]

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine

Similarity: 0.87

Chemical Structure| 58347-49-2

[ 58347-49-2 ]

7-Chloropyrazolo[1,5-a]pyrimidine

Similarity: 0.84

Chemical Structure| 960613-96-1

[ 960613-96-1 ]

3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine

Similarity: 0.76

Chemical Structure| 57489-77-7

[ 57489-77-7 ]

5,7-Dichloropyrazolo[1,5-a]pyrimidine

Similarity: 0.74

Chemical Structure| 779353-64-9

[ 779353-64-9 ]

5,7-Dichloro-3-ethylpyrazolo[1,5-a]pyrimidine

Similarity: 0.67

Related Parent Nucleus of
[ 877173-84-7 ]

Other Aromatic Heterocycles

Chemical Structure| 114040-06-1

[ 114040-06-1 ]

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine

Similarity: 0.87

Chemical Structure| 58347-49-2

[ 58347-49-2 ]

7-Chloropyrazolo[1,5-a]pyrimidine

Similarity: 0.84

Chemical Structure| 55405-67-9

[ 55405-67-9 ]

3-Bromopyrazolo[1,5-a]pyrimidine

Similarity: 0.83

Chemical Structure| 705263-10-1

[ 705263-10-1 ]

6-Bromopyrazolo[1,5-a]pyrimidine

Similarity: 0.78

Chemical Structure| 960613-96-1

[ 960613-96-1 ]

3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine

Similarity: 0.76

; ;