Structure of 84499-77-4
*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 | US 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) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
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) ]}
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
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
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'.
CAS No. : | 84499-77-4 |
Formula : | C8H11BrClN |
M.W : | 236.54 |
SMILES Code : | C[C@H](N)C1=CC=C(Br)C=C1.[H]Cl |
MDL No. : | MFCD11841191 |
InChI Key : | BQCAANUXMMQVAY-RGMNGODLSA-N |
Pubchem ID : | 53484870 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
* 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 hydrogenchloride; In 1,4-dioxane; methanol; at 20.0℃; for 2.0h; | A stirred solution of (R)-N-((S)-l-(4-bromophenyl)ethyl)-2-methylpropane-2- sulfinamide from step 2 (7.03 g, 23.1 mmol) in MeOH (33 mL) at 20 0C was treated with HCl (11.5 mL, 4 M in dioxane, 46 mmol). NOTE: exothermic. The mixture was stirred at 20 0C for 2 h, then concentrated in vacuo. The colourless solid was dried under vacuum at 40 C for 1 h, to yield the amine as its hydrochloride salt, containing some ^-butyl methyl sulfoxide. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In N,N-dimethyl-formamide; at 100.0℃; for 38.0h; | A suspension of (S)-I -(A-bromophenyl)ethanamine hydrochloride from step 3 (2.00 g,8.46 mmol), 2-chloroethyl ether (2.0 mL, 17.1 mmol) and K2CO3 (3.53 g, 25.5 mmol) in DMF (30 mL) was stirred at 100 0C for 38 h. After cooling to 20 0C, the mixture was partitioned between water (30 mL) and ether (30 mL). The aqueous layer was extracted with ether (3 x 30 mL); the combined organic extracts were washed with water (30 mL), dried (Na2SO4) and concentrated in vacuo. Purification by chromatography (20% EtOAc-hexanes) yielded the morpholine (270 mg, 1.00 mmol, 13% over 2 steps) as a yellow liquid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium acetate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 90.0℃; for 17.0h;Inert atmosphere; Sealed tube; | A mixture of (S)-4-(l-(4-bromophenyl)ethyl)morpholine from step 4 (270 mg, 1.00 mmol), bis(pinacolato)diboron (330 mg, 1.30 mmol), PdCl2(dppf) (41 mg, 50 μmol) and KOAc (128 mg, 1.30 mmol) and dioxane (2.6 mL) in a reaction tube was purged with nitrogen gas for 10 min. The tube was sealed under nitrogen and the mixture stirred at 90 0C for 17 h. The brown mixture was filtered through Celite, washing with 30 mL EtOAc. The filtrate was concentrated and the residue was used immediately without further purification. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine; In dichloromethane; at 20.0℃; | Description 1 : (S)-tert-butyl (1-(4- romophenyl)ethyl)carbamate (D1)A mixture of (S)-(-)-1 -(4-Bromophenyl)ethylamine hydrochloride (9 g, 38.0 mmol, available from Bepharm Ltd No.B157615), di-tert-butyl dicarbonate (8.72 g, 1 .05 mmol), and triethylamine (16ml, 1 14 mmol) in dichloromethane (120ml) was stirred at room temperature overnight. The mixture was diluted with dichloromethane (200ml) and washed with water (100ml). The organic solution was dried over Na2S04 and solvents were evaporated in vacuo to afford the title compound (D1) (12.7 g) as a white solid.1 H NMR (400MHz ,CHLOROFORM-d) δ (ppm): 7.47- 7.42 (2H, m), 7.18 (2H, d, J= 8.4 Hz), 5.30 (2H, br s), 1 .41 (12H, br s). | |
12.7 g | With triethylamine; In dichloromethane; at 20.0℃; | A mixture of (S)-(-)-1-(4-Bromophenyl)ethylamine hydrochloride (9 g, 38.0 mmol, available from Bepharm Ltd B157615), di-tert-butyl dicarbonate (8.72 g, 1.05 mmol), and triethylamine (16 ml, 114 mmol) in dichloromethane (120 ml) was stirred at room temperature overnight. The mixture was diluted with dichloromethane (200 ml) and washed with water (100 ml). The organic solution was dried over Na2SO4 and solvents were evaporated in vacuo to afford the title compound (D1) (12.7 g) as a white solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; water; In methanol; at 20.0℃; for 4.0h; | (S)-N-((S)- 1 -(4-bromopheny3)ethyi)-2-methylpropane-2-sulfinamide (170 mg, 0.56 mmol) was dissolved in methanol (2 mL) followed by addition of con.HCl ( 1 mL). The mixture was stirred at T for 4 h and then was concentrated and evaporated with toluene twice to afford the titled compound. 1 i N .'vi R (METHANOL-d4) δ 7.57 - 7.70 (m, 2H), 7.36 - 7.45 (m, 2H), 4.48 (q, J = 6.7 Hz, Hi), 1.62 - 1.68 (m, 4H) LC-MS: m/z 200.1 (M+H) + | |
With hydrogenchloride; water; In methanesulfonic acid; at 20.0℃; for 4.0h; | (S)-N-((S)- 1 -(4-bromophenyl)ethyl)-2-methylpropane-2-sulfinaniide (170 mg, 0.56 mmol) was dissolved in methanol (2 mL) followed by addition of con.HCl (1 mL). The mixture was stirred at RT for 4 h and then was concentrated and e vaporated with toluene twice to afford the titled compound. Ή NMR (METHANOL-d4) δ 7.57 - 7.70 (m, 2H), 7.36 - 7.45 (m, 2H), 4.48 (q, J - 6.7 Hz, I Fi), 1 .62 - 1.68 (m, 4H) LC-MS: m/z 200. i i M H i |
A475402 [90006-14-7]
1-(4-Bromophenyl)ethanamine hydrochloride
Similarity: 1.00
A482382 [64265-77-6]
(R)-1-(4-Bromophenyl)ethylamine Hydrochloride
Similarity: 1.00
A131947 [90151-46-5]
1-(3-Bromophenyl)ethylamine Hydrochloride
Similarity: 0.97
A186058 [5267-43-6]
(4-Bromophenyl)(phenyl)methanamine hydrochloride
Similarity: 0.97
A203445 [2172274-44-9]
(S)-1-(3-Bromophenyl)ethanamine hydrochloride
Similarity: 0.97
A475402 [90006-14-7]
1-(4-Bromophenyl)ethanamine hydrochloride
Similarity: 1.00
A482382 [64265-77-6]
(R)-1-(4-Bromophenyl)ethylamine Hydrochloride
Similarity: 1.00
A131947 [90151-46-5]
1-(3-Bromophenyl)ethylamine Hydrochloride
Similarity: 0.97
A186058 [5267-43-6]
(4-Bromophenyl)(phenyl)methanamine hydrochloride
Similarity: 0.97
A203445 [2172274-44-9]
(S)-1-(3-Bromophenyl)ethanamine hydrochloride
Similarity: 0.97
A475402 [90006-14-7]
1-(4-Bromophenyl)ethanamine hydrochloride
Similarity: 1.00
A482382 [64265-77-6]
(R)-1-(4-Bromophenyl)ethylamine Hydrochloride
Similarity: 1.00
A131947 [90151-46-5]
1-(3-Bromophenyl)ethylamine Hydrochloride
Similarity: 0.97
A186058 [5267-43-6]
(4-Bromophenyl)(phenyl)methanamine hydrochloride
Similarity: 0.97
A203445 [2172274-44-9]
(S)-1-(3-Bromophenyl)ethanamine hydrochloride
Similarity: 0.97