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+ |
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. : | 140-82-9 | MDL No. : | MFCD00020604 |
Formula : | C8H19NO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VKBVRNHODPFVHK-UHFFFAOYSA-N |
M.W : | 161.24 | Pubchem ID : | 67327 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 45.71 |
TPSA : | 32.7 Ų |
GI absorption : | High |
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) : | -7.16 cm/s |
Log Po/w (iLOGP) : | 2.32 |
Log Po/w (XLOGP3) : | 0.17 |
Log Po/w (WLOGP) : | 0.34 |
Log Po/w (MLOGP) : | 0.41 |
Log Po/w (SILICOS-IT) : | 0.63 |
Consensus Log Po/w : | 0.77 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.48 |
Solubility : | 52.8 mg/ml ; 0.327 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.41 |
Solubility : | 62.1 mg/ml ; 0.385 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.57 |
Solubility : | 4.3 mg/ml ; 0.0267 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.0 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 2735 |
Hazard Statements: | H312-H314 | Packing Group: | Ⅲ |
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 |
---|---|---|
With borane; sodium hydrogencarbonate; triethylamine; In tetrahydrofuran; | EXAMPLE 13 2'-O-[2(2-N,N-diethylaminoethoxy)ethyl]-5-methyl uridine 2[2-(Diethylamino)ethoxy]ethanol (50 mmol) is slowly added to a solution of borane in tetrahydrofuran (1 M, 10 mL, 10 mmol) with stirring in a 100 mL bomb. Hydrogen gas evolves as the solid dissolves O2-2'-anhydro-5-methyluridine (1.2 g, 5 mmol), and sodium bicarbonate (2.5 mg) are added and the bomb is sealed, placed in an oil bath and heated to 155° C. for 26 hours. The bomb is cooled to room temperature and opened. The crude solution is concentrated and the residue partitioned between water (200 mL) and hexanes (200 mL). The excess alcohol is extracted into the hexane layer. The aqueous layer is extracted with ethyl acetate (3*200 mL) and the combined organic layers are washed once with water, dried over anhydrous sodium sulfate and concentrated. The residue is columned on silica gel using methanol/methylene chloride 1:20 (which has 2percent triethylamine) as the eluent. The appropriate column fractions are concentrated and concentrated to give the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With NaBH3CN; In methanol; water; | EXAMPLE 12 2-[2-(diethylamino)ethoxy] ethanol 2-(2-aminoethoxy)ethanol (Aldrich 0.5 mmol) is treated with NaBH3CN (Aldrich, 200 mg, 3.0 mmol) in 50percent aqueous methanol (30 mL). To this solution, acetaldehyde 95percent purity (2 mL, 17 mmol) is added in one portion and the mixture is heated at 50° C. for 2 days in a flask under argon. After removal of the solvent under reduced pressure, the residue is dissolved in water, extracted with ethylacetate to give the title compound. | |
With NaBH3CN; In methanol; water; | EXAMPLE 12 2-[2-(diethylamino)ethoxy] Ethanol 2-(2-aminoethoxy)ethanol (Aldrich 0.5 mmol) is treated with NaBH3CN (Aldrich, 200 mg, 3.0 mmol) in 50percent aqueous methanol (30 mL). To this solution, acetaldehyde 95percent purity (2 mL, 17 mmol) is added in one portion and the mixture is heated at 50° C. for 2 days in a flask under argon. After removal of the solvent under reduced pressure, the residue is dissolved in water, extracted with ethylacetate to give the title compound. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride; In benzene; | Step C 2-(2-Diethylaminoethoxy)-ethyl Chloride A modification of the procedure described in J. Am. Chem. Soc. 76:3163 (1954) was used to obtain this compound, beginning with the dropwise addition of thionyl chloride (17.02 mL, 233.42 mmol) to a solution of 2-(2-di-ethylaminoethoxy)-ethanol in benzene (100 mL). The reaction mixture was stirred at reflux for 1.5 hours and the volatiles were removedunder diminished pressure. The oily residue crystallized in ether, was nearly homogeneous by TLC, and was used without further purification. The HCl salt obtained in this reaction was very hygroscopic. Attempts at purification of the free base via distillation resulted in decomposition. CIMS 180 m/z (M+1), 183 m/z (M+3). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | With triethylamine; In dichloromethane; at 20℃; for 20.0h; | Various compounds according to the invention were prepared according to the synthetic scheme below: This process comprises the following stages. Commercial ((diethylamino)ethoxy)ethanol is dissolved in dichloromethane. Subsequently, 2.1 equivalents of triethylamine and then, slowly, 1.05 equivalents of acid chloride RCOCl are added and the reaction mixture is left to react at ambient temperature for 20 h. The medium is diluted with dichloromethane and then two aqueous washing operations are carried out. The organic phase is dried over sodium sulphate, filtered and then concentrated to dryness. The residue obtained is purified by a silica column or by precipitation.The reactant (acyl chloride) used and the results obtained are collated in the table below. 1H NMR R Yield Appearance 500 MHz C2H5 56percent Slightly brown oil Conforms C7H15 60percent Slightly brown oil Conforms C9H19 72percent Slightly brown oil Conforms C11H23 82percent Slightly brown oil Conforms C13H27 80percent Slightly brown oil Conforms C15H31 80percent Slightly brown oil Conforms C17H35 44percent Slightly brown oil Conforms C21H43 44percent Beige waxy solid Conforms |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
18.9% | With sodium hydride; In toluene; at 20℃;Inert atmosphere; | Compound 11-2 (140 mg, 0.87 mmol), compound 1-6 (265 mg, 0.43 mmol) and sodium hydride (70 mg, 1.75 mmol, 60percent w/w) were added into a 100 mL reaction flask, then toluene (20 mL) was added to the reaction system. The atmosphere of the reaction system was changed to a nitrogen atmosphere using nitrogen ball and the reaction was performed at room temperature and monitored by TLC. After TLC showed that compound 1-6 was completely conversed, the reaction system was concentrated under reduced pressure, then 10 mL of water was added to the reaction system, and the resulting mixture was extracted three times with ethyl acetate (10 mL). The extract liquid was combined, washed with saturated brine, dried over anhydrous sodium sulfate, concentrated, and purified by silica gel column chromatography, with an eluent of ammoniated dichloromethane:methanol=100/3-50/1, to obtain the target product 11 (70 mg, 18.9percent) as a deep blue solid. 1H NMR (500 MHz, CDCl3): delta 9.63-9.61 (m, 8H), 8.34-8.32 (m, 8H), 1.91-1.88 (m, 8H), 1.63 (t, J=5 Hz, 4H), 1.47 (t, J=5 Hz, 4H), 0.57 (t, J=5 Hz, 12H), 0.35-0.33 (m, 4H), ?1.91-?1.94 (m, 4H); HRMS: 883.3833 [M+Na]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With potassium carbonate; In 1,4-dioxane; at 70℃; | Compound 1-3 (2.6 g, 10 mmol) was dissolved in 1,4-dioxane (40 mL), followed by addition of diethylamine 11-1 (2.2 g, 30 mmol), and potassium carbonate (2.76 g, 20 mmol) was added under stirring, followed by stirring the reaction overnight under conditions of 70° C. and a closed reaction system, TLC monitoring showed that the starting material 1-3 was completely reacted. The solvent was removed under reduced pressure to obtain a concentrated residue. The concentrated residue was dispensed with dichloromethane (20 mL), an appropriate amount of silica gel was added and the sample was stirred, spin-dried under reduced pressure and directly placed on a silica gel column for column chromatographic purification, with an eluent (dichloromethane:methanol=20/1-5/1) to obtain the target product 11-2 (0.68 g, 42percent) as a pale yellow oil, LC-MS: m/z=162[M+H]+. |
[ 3030-43-1 ]
2,2'-Oxybis(N,N-diethylethanamine)
Similarity: 0.95
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 85322-63-0 ]
2-(2-Aminoethoxy)-N,N-dimethylethanamine
Similarity: 0.90
[ 3033-62-3 ]
2,2'-Oxybis(N,N-dimethylethanamine)
Similarity: 0.90
[ 288383-69-7 ]
2-((2-Methoxyethyl)(methyl)amino)ethanol
Similarity: 0.90
[ 3603-45-0 ]
4-[2-(2-Hydroxyethoxy)ethyl]morpholine
Similarity: 0.95
[ 3030-43-1 ]
2,2'-Oxybis(N,N-diethylethanamine)
Similarity: 0.95
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 3603-45-0 ]
4-[2-(2-Hydroxyethoxy)ethyl]morpholine
Similarity: 0.95
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 288383-69-7 ]
2-((2-Methoxyethyl)(methyl)amino)ethanol
Similarity: 0.90
[ 3030-43-1 ]
2,2'-Oxybis(N,N-diethylethanamine)
Similarity: 0.95
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 27014-42-2 ]
6,9-Bis(2-(2-hydroxyethoxy)ethyl)-3,12-dioxa-6,9-diazatetradecane-1,14-diol
Similarity: 0.91
[ 20207-13-0 ]
2-(2-Morpholinoethoxy)ethanamine
Similarity: 0.90