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) ]} | Inquiry {[ 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. : | 13220-33-2 | MDL No. : | MFCD00003176 |
Formula : | C5H11NO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FLVFPAIGVBQGET-UHFFFAOYSA-N |
M.W : | 101.15 | Pubchem ID : | 93074 |
Synonyms : |
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 32.01 |
TPSA : | 23.47 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.07 cm/s |
Log Po/w (iLOGP) : | 1.56 |
Log Po/w (XLOGP3) : | -0.22 |
Log Po/w (WLOGP) : | -0.7 |
Log Po/w (MLOGP) : | -0.16 |
Log Po/w (SILICOS-IT) : | 0.26 |
Consensus Log Po/w : | 0.15 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.33 |
Solubility : | 47.5 mg/ml ; 0.469 mol/l |
Class : | Very soluble |
Log S (Ali) : | 0.18 |
Solubility : | 155.0 mg/ml ; 1.53 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 0.17 |
Solubility : | 150.0 mg/ml ; 1.48 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.34 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H227-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 |
---|---|---|
64.8% | at 10 - 120℃; for 10 h; Autoclave; Sealed tube | This embodiment is 3-hydroxy-1-methyl tetrahydropyrrole preparation method, the specific steps are as follows: A 500 mL four-necked flask was charged with 250 g of a 40 wtpercent aqueous solution of monomethylamine and cooled to 10 ° C in an ice-water bath. Then, while stirring, 102 g of 1,4-dichloro-2-butanol was added dropwise and the temperature was controlled at 15 ° C The following, about 15min drip finished; Then pour the system into 500mLAutoclave, sealed, evacuated to a pressure of 1.0 ± 0.1MPa, while heated to 120 ± 2 , the reaction was stirred for about 10h, GC control of raw materials disappear. After the reaction was over, cooled to room temperature, the material was discharged, batchwise add 110g of sodium hydroxide, release a large amount of methylamine gas, control the temperature below 50 , precipitated a lot of white solid, stirred for 1h; filtration, the filtrate layered, the upper organic phase Ethanol 100mLAnd anhydrous magnesium sulfate 18g, stirring 2 ~ 3h; and then filtered, the filtrate was concentrated in vacuo to give a yellow transparent oily liquid, and then vacuum distillation to give 46.7g of colorless and transparent 3-hydroxy-1-methyl tetrahydropyrrole , Yield 64.8percent, purity 99.3percent (HPLC). |
[ 104706-47-0 ]
(R)-3-Hydroxypyrrolidine hydrochloride
Similarity: 0.88
[ 104706-47-0 ]
(R)-3-Hydroxypyrrolidine hydrochloride
Similarity: 0.88
[ 104706-47-0 ]
(R)-3-Hydroxypyrrolidine hydrochloride
Similarity: 0.88