Structure of 4-Benzylaminocyclohexanone
CAS No.: 142009-99-2
*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. : | 142009-99-2 |
Formula : | C13H17NO |
M.W : | 203.28 |
SMILES Code : | O=C1CCC(NCC2=CC=CC=C2)CC1 |
MDL No. : | MFCD06658335 |
Boiling Point : | No data available |
InChI Key : | NMCDGVLRNAILQW-UHFFFAOYSA-N |
Pubchem ID : | 15932625 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Warning |
Hazard Statements: | H315-H319-H335-H411 |
Precautionary Statements: | P273-P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 |
* 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 |
---|---|---|
95.6% | With hydrogenchloride; In water; at 20℃; for 22h; | Loaded with N-benzyl-1,4-dioxaspiro[4.5]silane-8-amine (16g, 64.69mmol, 1eq.)Of single-mouth bottle with 2mol/L HCl(81ml, 161.72mmol, 2.5eq.), stirred at room temperature overnight (12h),TLC (DCM:MeOH=25:1, 2 times) about half of the raw materials remained.After adding 2mol/L HCl (16ml, 0.5 eq.) for 10hTLC showed that the reaction was basically complete. Under the ice bath, Add NaOH (8g, about 3eq.) in water (about 24ml) solution,Adjust pH 910 with 2mol/L NaOH solution.Extract with dichloromethane (150+75+30 ml). The organic phase is combined,Wash with saturated sodium chloride (30ml), dry with anhydrous magnesium sulfate, filter with suction,The filtrate was evaporated under reduced pressure to obtain 12.57g of light brown liquid.The yield was 95.6%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62.5% | With dmap; triethylamine; In dichloromethane; for 13h; | 500ml three-necked bottle with thermometer and constant pressure dropping funnel4-(benzylamino)cyclohexane-1-one(35.7g, 175.61mmol, 1eq.), DCM (300ml),TEA (21.32g, 210.73mmol, 1.2eq.), DMAP (215mg, 1.76mmol, 0.01eq.),Stir in ice water bath. (Boc)2O (40.24 g,184.39mmol, 1.05eq.) in DCM (50ml).After adding, remove the ice water bath and stir. Overnight (13h),TLC (DCM:MeOH=100:1 and DCM:MeOH=10:1)Shows that the reaction is complete. Add water (200ml), mix, stand still, separate the layers, and extract the aqueous phase with dichloromethane (100+100ml).Combine the organic phases, wash with water (100ml), wash with citric acid solution (100ml),Wash with saturated sodium chloride (100ml), dry with anhydrous magnesium sulfate, filter with suction, and distill off the filtrate under reduced pressure.51.68g of yellow liquid was obtained. Silica gel column chromatography purification (DCM:PEDCM), 33.3g off-white solid was obtained, the yield was 62.5%. |
A118656 [149506-79-6]
4-(Dibenzylamino)cyclohexanone
Similarity: 0.97
A228954 [1416352-02-7]
4-(Dibenzylamino)cyclohexanone hydrochloride
Similarity: 0.95
A842642 [2291-58-9]
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
Similarity: 0.90
A300130 [32941-09-6]
1-Benzyl-2,6-dimethylpiperidin-4-one
Similarity: 0.90
A115124 [203661-73-8]
1-Benzyl-2-methylpiperidin-4-one
Similarity: 0.90
A118656 [149506-79-6]
4-(Dibenzylamino)cyclohexanone
Similarity: 0.97
A228954 [1416352-02-7]
4-(Dibenzylamino)cyclohexanone hydrochloride
Similarity: 0.95
A842642 [2291-58-9]
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
Similarity: 0.90
A300130 [32941-09-6]
1-Benzyl-2,6-dimethylpiperidin-4-one
Similarity: 0.90
A115124 [203661-73-8]
1-Benzyl-2-methylpiperidin-4-one
Similarity: 0.90
A118656 [149506-79-6]
4-(Dibenzylamino)cyclohexanone
Similarity: 0.97
A228954 [1416352-02-7]
4-(Dibenzylamino)cyclohexanone hydrochloride
Similarity: 0.95