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+ |
Structure of 3-Ethynylpyridine
CAS No.: 2510-23-8
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
| Size | Price | VIP Price |
DE Stock US Stock |
Asia Stock Global Stock |
In Stock |
| {[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | {[ item.p_spot_brand_remark ]} 1-2 weeks {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.p_spot_brand_remark ]} 1-2 weeks {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock Inquiry - | Login - + |
Please Login or Create an Account to: See VIP prices and availability
Asia Stock: Ship in 3-5 business days
EU Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
{[ item.p_spot_brand_remark ]}
1-2weeks
Inquiry
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ item.p_spot_brand_remark ]}
1-2weeks
Inquiry
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
Asia Stock: Ship in 3-5 business days
EU Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Krzysztof Kuciński ; Grzegorz Hreczycho ;
Abstract: Commercially available and inexpensive potassium bis(trimethylsilyl)amide (KHMDS) serves as an efficient transition metal-free catalyst for the catalytic sp C−H silylation of several terminal alkynes including two pharmaceuticals. Overall, the presented system allows the synthesis of various attractive silylacetylenes under mild conditions, making this approach an environmentally benign and sustainable alternative to existing synthetic solutions.
Show More >
Purchased from AmBeed: 768-60-5 ; 40307-11-7 ; 171290-52-1 ; 766-83-6 ; 886363-40-2 ; 62452-73-7 ; 1945-84-2 ; 29079-00-3 ; 766-97-2 ; 705-31-7 ; 23152-99-0 ; 14630-40-1 ; 766-47-2 ; 873-73-4 ; 2510-23-8 ; 704-41-6 ; 67237-53-0 ; 160542-02-9 ; 766-49-4 ; 769-26-6
Show More >
| CAS No. : | 2510-23-8 |
| Formula : | C7H5N |
| M.W : | 103.12 |
| SMILES Code : | C#CC1=CC=CN=C1 |
| MDL No. : | MFCD02177459 |
| InChI Key : | CLRPXACRDTXENY-UHFFFAOYSA-N |
| Pubchem ID : | 186003 |
| GHS Pictogram: |
|
| Signal Word: | Danger |
| Hazard Statements: | H228-H315-H319 |
| Precautionary Statements: | P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Class: | 4.1 |
| UN#: | 1325 |
| Packing Group: | Ⅲ |
| Num. heavy atoms | 8 |
| Num. arom. heavy atoms | 6 |
| Fraction Csp3 | 0.0 |
| Num. rotatable bonds | 0 |
| Num. H-bond acceptors | 1.0 |
| Num. H-bond donors | 0.0 |
| Molar Refractivity | 32.17 |
| TPSA ? Topological Polar Surface Area: Calculated from |
12.89 Ų |
| Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.67 |
| Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
1.08 |
| Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
1.14 |
| Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.05 |
| Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
2.01 |
| Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
1.39 |
| Log S (ESOL):? ESOL: Topological method implemented from |
-1.71 |
| Solubility | 1.99 mg/ml ; 0.0193 mol/l |
| Class? Solubility class: Log S scale |
Very soluble |
| Log S (Ali)? Ali: Topological method implemented from |
-0.94 |
| Solubility | 11.8 mg/ml ; 0.114 mol/l |
| Class? Solubility class: Log S scale |
Very soluble |
| Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-2.03 |
| Solubility | 0.956 mg/ml ; 0.00927 mol/l |
| Class? Solubility class: Log S scale |
Soluble |
| GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
| BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
| P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
| CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
No |
| CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
| CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
| CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
| CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
| Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-6.16 cm/s |
| Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
| Ghose? Ghose filter: implemented from |
None |
| Veber? Veber (GSK) filter: implemented from |
0.0 |
| Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
| Muegge? Muegge (Bayer) filter: implemented from |
2.0 |
| Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
| PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
| Brenk? Structural Alert: implemented from |
1.0 alert: heavy_metal |
| Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
| Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.58 |
* 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.

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With copper(l) iodide; triethylamine;bis-triphenylphosphine-palladium(II) chloride; for 1h;Reflux; | To a mixture of 3-ethynylpyridine (1.13 g, 11 mmol) and 2-fluoro^-chloro-6-iodoaniline (2.71 g, 10 mmol) in triethylamine (100 mL) is added PdCI2(PPh3)2 (175 mg, 0.25 mmol) and CuI (95 mg, 0.50 mmol) and the mixture is refluxed for 1 h. The solvent is removed in vacuo and the residue is purified by silica gel flash chromatography (dichloromethane- methanol, 1 :0 to 24:1 ) to give 4-chloro-2-fluoro-6-pyridin-3-ylethynyl-phenylamine. MS (ESI) m/z 247 (M+H)+. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 83% | With triethylamine;bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; at 60℃; for 2h;Inert atmosphere; | B. 3-((4-(5,5-dimethyl-l,3,2-dioxaborinan-2-yl)phenyl)ethynyl)pyridine; In an oven dried round bottom flask, a solution of <strong>[5572-94-1]2-(4-iodophenyl)-5,5-dimethyl-1,3,2-dioxaborinane</strong> (21 g, 66.47 mmol) and triethylamine (27.8 mL, 199.40 mmol) in acetonitrile (305 mL) was degassed with a stream of N2 for 5 minutes. After this time, 3- ethynylpyridine (7.20 g, 69.79 mmol), Pd(PPh3)2Cl2 (3.5 g, 4.99 mmol) and copper(I) iodide (0.633 g, 3.32 mmol) were added. The flask was then placed in a 60 0C oil bath and was stirred for 2 h, until TLC indicated formation of a new product. The reaction was allowed to cool to room temperature and was then concentrated in vacuo. The resulting brown solid was dissolved in DCM and then impregnated on silica gel. The crude material was purified by silica gel chromatography (5-50% Ethyl Acetate in Hexanes) to afford the desired product as a yellow solid (16.2 g, 83%). 1U NMR (300 MHz, DMSO-d6) δ: ppm 8.77 (s, IH); 8.61 (d, IH); 7.98 (d, IH); 7.76 (d, 2H); 7.58 (d, 2H); 7.48 (dd, IH), 3.78 (s, 4H); 0.97 (s, 6H). |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 57% | With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 80℃; for 24h;Inert atmosphere; | General procedure: To a solution of 2-chloroquinoline (29.7 mg, 0.182 mmole) in THF (1.5 mL) was added PdCl2(PPh3)2 (2.6 mg, 0.0037 mmole), CuI (1.5 mg, 0.0063 mmol). The reaction mixture was stirred for 5 min and triethylamine (0.15 mL) and phenylacetylene (0.03 mL, 0.27 mmol) were added. After the resulting mixture was stirred at 80 C for 24 h, it was allowed to cool to room temperature and filtered through a pad of Celite by the aid of EtOAc. The filtrate was treated with water and extracted with EtOAc (3 x 10 mL). The organic layer was washed with water and brine, dried over anhydrous MgSO4, and concentrated under reduced pressure. The crude oil was purified by column chromatography on silica gel (EtOAc/hexane = 1:10) to give 2-(phenylethynyl)quinoline 5a (25 mg, 60%) |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 46.6% | In a 50 mL three-neck round bottom flask equipped with magnetic stirrer, condenser and nitrogen inlet-outlet were introduced3-ethynylpyridine (0.165 g, 1.6 mmol), PdCl2*2PPh3 (0.056 g,0.08 mmol), CuI (0.03 g, 0.16 mmol), PPh3 (0.04 g, 0.16 mmol), triethylamine (15 mL) and tetrahydrofuran (5 mL). The mixture was stirred in nitrogen atmosphere at 50-60 °C for an hour after that 4,4',4''-trisiodotriphenylamine (1 g, 1.6 mmol) dissolved in a mixture of TEA (5 mL) and THF (5 mL) was added. Then the mixture was stirred at 80 °C when the solution color turned out in time from yellow to red and some solids are deposited on the flask's walls. After 24 h the mixture was precipitated in water, filtrated and dried. The pure orange compound 3 was obtained by silica gel chromatography using ethyl acetate/hexane (1:4 vol/vol) as eluent.Yield: 46.6percent. Mp 80 °C. ESI-MS 599.2 (M H). IR (KBr, cm-1): 3032, 2212, 1647, 1599, 1575, 1504, 1479, 1404, 1314, 1284, 1265, 1179, 1142, 1001, 818, 803, 700. 1H NMR (CDCl3, ppm): 8.75 (1H,pyridyl), 8.54 (1H, d, H, pyridyl), 7.81 (1H, d, pyridyl, J 8.0 Hz), 7.57(4H, d, J 8.8 Hz), 7.41 (2H, d, J 8.4 Hz), 7.28 (1H, t, pyridyl), 7.01(2H, d, J 8.4 Hz), 6.85 (4H, d, J 8.8 Hz). |

A194057 [352530-29-1]
4-Ethynylpyridine hydrochloride
Similarity: 0.79

A194057 [352530-29-1]
4-Ethynylpyridine hydrochloride
Similarity: 0.79