Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 134756-75-5 | MDL No. : | MFCD11502840 |
Formula : | C11H25NOSi | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SCSMCZJZQYDACU-JTQLQIEISA-N |
M.W : | 215.41 g/mol | Pubchem ID : | 11275950 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 68.55 |
TPSA : | 21.26 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.49 cm/s |
Log Po/w (iLOGP) : | 3.32 |
Log Po/w (XLOGP3) : | 2.99 |
Log Po/w (WLOGP) : | 2.38 |
Log Po/w (MLOGP) : | 1.81 |
Log Po/w (SILICOS-IT) : | 1.05 |
Consensus Log Po/w : | 2.31 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.8 |
Solubility : | 0.345 mg/ml ; 0.0016 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.1 |
Solubility : | 0.171 mg/ml ; 0.000794 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.05 |
Solubility : | 0.192 mg/ml ; 0.000889 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 4.09 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
![]() |
* 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 |
---|---|---|
76% | With triethylamine In dichloromethane at 20℃; | To a solution of (S)-pyrrolidin-2-yl-methanol (0.69 g, 6.82 mmol) in DCM (3 mL) cooled to 0° C. was added TEA (1.38 g, 13.6 mmol) followed by TBDMS-Cl (1.03 g, 6.82 mmol) in DCM (3 mL). The reaction mixture was then stirred at room temperature over night and poured into NH4Cl (20 mL). The aqueous layer was extracted with DCM (2×50 mL). Combined organics were washed with brine, dried over Na2SO4, filtered and evaporated to dryness to give the title compound (1.11 g, 76percent) as a yellow oil. MS: 216.2 (M+H+) |
76% | With triethylamine In dichloromethane at 0 - 20℃; | Intermediate A-36-{5-[(S)-2-(tei"i-Butyl-dimethyl-silanyloxymethyl)-pyrrolidin-l-yl]-pyridin-3-yl}-l- methyl-3,4-dihydro-lH-quinolin-2-one [A] (S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-pyrrolidineTo a solution of (S)-pyrrolidin-2-yl-methanol (0.69 g, 6.82 mmol) in DCM (3 mL) cooled to 0 °C was added TEA (1.38 g, 13.6 mmol) followed by TBDMS-Cl (1.03 g, 6.82 mmol) in DCM (3 mL). The reaction mixture was then stirred at room temperature over night and poured into NH4C1 (20 mL). The aqueous layer was extracted with DCM (2 x 50 mL). Combined organics were washed with brine, dried over Na2S04, filtered and evaporated to dryness to give the title compound (1.11 g, 76percent) as a yellow oil. MS: 216.2 (M+H+). |
76% | With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere | To a solution of (S)-pyrrolidin-2-ylmethanol (0.69 g, 6.82 mmol) in DCM (3 mL) cooled to 0 °C was added TEA (1.38 g, 13.6 mmol) followed by TBDMS-Cl (1.03 g, 6.82 mmol) in DCM (3 mL). The reaction mixture was then stirred at room temperature over night and poured into NH4C1 (20 mL). The aqueous layer was extracted with DCM (2 x 50 mL). Combined organics were washed with brine, dried over Na2S04, filtered and evaporated to dryness to give the title compound (1.1 lg, 76percent) as a yellow oil. MS: 216.2 (M+H+). |
76% | With triethylamine In dichloromethane at 0 - 20℃; | [A] (S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-pyrrolidine To a solution of (S)-pyrrolidin-2-ylmethanol (0.69 g, 6.82 mmol) in DCM (3 mL) cooled to 0° C. was added TEA (1.38 g, 13.6 mmol) followed by TBDMS-Cl (1.03 g, 6.82 mmol) in DCM (3 mL). The reaction mixture was then stirred at room temperature overnight and poured into NH4Cl (20 mL). The aqueous layer was extracted with DCM (2*50 mL). Combined organics were washed with brine, dried over Na2SO4, filtered and evaporated to dryness to give the title compound (1.11 g, 76percent) as a yellow oil. MS: 216.2 (M+H+). |
[ 204580-28-9 ]
N-[2-(tert-Butyldimethylsilyloxy)ethyl]methylamine
Similarity: 0.76
[ 101711-55-1 ]
2-((tert-Butyldimethylsilyl)oxy)ethanamine
Similarity: 0.70
[ 73842-99-6 ]
3-((tert-Butyldimethylsilyl)oxy)propan-1-ol
Similarity: 0.61
[ 1394119-83-5 ]
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]cyclobutanemethanol
Similarity: 0.61
[ 185692-85-7 ]
(S)-tert-Butyl (1-((tert-butyldimethylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
Similarity: 0.58