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CAS No. : | 44520-55-0 | MDL No. : | MFCD00270215 |
Formula : | C4H11NO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | MUVQIIBPDFTEKM-IMJSIDKUSA-N |
M.W : | 105.14 | Pubchem ID : | 7020320 |
Synonyms : |
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 26.37 |
TPSA : | 66.48 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) : | -8.06 cm/s |
Log Po/w (iLOGP) : | 0.99 |
Log Po/w (XLOGP3) : | -1.58 |
Log Po/w (WLOGP) : | -1.31 |
Log Po/w (MLOGP) : | -1.06 |
Log Po/w (SILICOS-IT) : | -1.06 |
Consensus Log Po/w : | -0.8 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 0.64 |
Solubility : | 454.0 mg/ml ; 4.32 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.69 |
Solubility : | 518.0 mg/ml ; 4.92 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 0.81 |
Solubility : | 679.0 mg/ml ; 6.46 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.54 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | 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 |
---|---|---|
With triethylamine; In 1-methyl-pyrrolidin-2-one; at 120℃; for 36h; | The product from step (d) (4g) was suspended in NMP (lOml), triethylamine (2. [5ML)] and [(2S, 3S)-2-AMINOBUTANE-1,] 3-diol (3g) were added. The mixture was heated to [120C] under N2 for 36 hrs. poured into water [(400ML)] and ethyl acetate added. The organic phase was separated and washed with saturated brine solution. Evaporation of the solvent left a residue which on trituration with ether: isohexane mixture gave 4.7g of the subtitle compound. MS: APCI (+ve) 414 (M+H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | The product of step (b) (759 mg, 1.86 mmol) was dissolved in of 1-METHYL-2-PYRROLIDINONE (NMP) (5 mL), AND N ETHYL-N, N DIISOPROPYLAMINE (DIPEA) (1.2 ML, 7.0 mmol) and <strong>[44520-55-0]D-threoninol</strong> (196 mg, 1. 86 mmol) were added. The resulting mixture was stirred at 80 C for 18 h. After addition of water (10 mL) the pH was adjusted to 5 by addition OF HOAC. The precipitate formed was filtered off, washed with water and dried to give 739 mg (92%) of the title compound, which was used in the subsequent step without further purification. MS (ESI+) M/Z 432 [M+H]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃; for 20h;Inert atmosphere; | (93a) N-[(1S,2S)-2-Hydroxy-1-(hydroxymethyl)propyl]-5-(3-[(1S)-2-methoxy-1-methylethoxy]-5-[6-(methylsulfonyl)pyridin-3-yl]oxy}phenyl)-1H-pyrrole-2-carboxamide 5-(3-[(1S)-2-Methoxy-1-methylethoxy]-5-[6-(methylsulfonyl)pyridin-3-yl]oxy}phenyl)-1H-pyrrole-2-carboxylic acid (1.20 g, 2.69 mmol) synthesised in Example (78k), commercially available <strong>[44520-55-0]D-threoninol</strong> (0.34 g, 3.23 mmol), HOBT·H2O (0.40 g, 3.23 mmol) and N-methylmorpholine (0.59 mL, 5.38 mmol) were dissolved in N,N-dimethylformamide (20 mL), and WSCI·HCl (0.62 g, 3.23 mmol) was added at room temperature, followed by stirring for 20 hours under nitrogen atmosphere. To the reaction solution, saturated brine (30 mL) was added, and extraction was carried out with ethyl acetate (60 mL). After washing with 1N hydrochloric acid, a saturated aqueous sodium hydrogencarbonate solution and saturated brine, drying was carried out over anhydrous magnesium sulfate. The solvent was distilled off under reduced pressure, and the resulting residue was purified using silica gel column chromatography (elution solvent: methanol/methylene chloride=0%-7%) to afford the desired compound (1.24 g, 86%) as a white solid. 1H-NMR (CDCl3, 400 MHz): delta 1.25 (3H, d, J=6.3 Hz), 1.33 (3H, d, J=6.3 Hz), 3.23 (3H, s), 3.42 (3H, s), 3.51 (1H, dd, J=3.9, 10.3 Hz), 3.59 (1H, dd, J=6.3, 10.4 Hz), 3.90-3.91 (2H, m), 3.98-4.03 (1H, brm), 4.23-4.29 (1H, m), 4.56-4.60 (1H, m), 6.50 (1H, t, J=3.2 Hz), 6.58 (1H, t, J=2.2 Hz), 6.66 (1H, brm), 6.69-6.70 (1H, m), 6.85 (1H, t, J=1.7 Hz), 7.03 (1H, t, J=1.7 Hz), 7.44 (1H, dd, J=2.7, 8.7 Hz), 8.04 (1H, d, J=8.7 Hz), 8.48 (1H, d, J=2.7 Hz), 9.77 (1H, brs). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In methanol; at 20℃; for 120h;Inert atmosphere; | (112a) N-[(2S,3S)-1,3-Dihydroxybutan-2-yl]-5-(3-[(2S)-1-methoxypropan-2-yl]oxy}-5-[(tripropan-2-ylsilyl)oxy]phenyl)-1H-pyrrole-2-carboxamide 5-{3-[(1S)-2-Methoxy-1-methylethoxy]-5-[(triisopropylsilyl)oxy]phenyl}-1H-pyrrole-2-carboxylic acid (1.75 g, 3.91 mmol) synthesised in Example (106c) was dissolved in methanol (30 mL), and <strong>[44520-55-0]D-threoninol</strong> (1.00 g, 9.51 mmol) and 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride n hydrate (2.85 g, 10.30 mmol) were added, followed by stirring at room temperature for 5 days under nitrogen atmosphere. After the solvent was distilled off under reduced pressure, a saturated aqueous ammonium chloride solution (50 mL) was added, and extraction was carried out with methylene chloride (80 mL). The organic layer was washed with saturated brine, and subsequently dried over anhydrous magnesium sulfate. The resulting residue was purified using silica gel column chromatography (elution solvent: methanol/methylene chloride=3%-7%) to afford the desired compound (1.76 g, yield 84%) as a white solid. 1H-NMR (CDCl3, 400 MHz): delta 1.08 (18H, d, J=7.4 Hz), 1.18-1.25 (6H, m), 1.27 (3H, d, J=6.3 Hz), 2.83 (2H, br s), 3.38 (3H, s), 3.45 (1H, dd, J=10.2, 4.3 Hz), 3.55 (1H, dd, J=10.2, 5.9 Hz), 3.87 (2H, s), 3.94-4.01 (2H, m), 4.22 (1H, br s), 4.46-4.52 (1H, m), 6.37 (1H, br s), 6.40-6.43 (1H, m), 6.59-6.66 (3H, m), 6.70 (1H, s), 9.78 (1H, br s). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Ca. 100% | With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; | (Synthesis of Compound 2-4)1.04 g (3.47 mmol) of the Compound 2-3, 0.42 g (3.99 mmol) of <strong>[44520-55-0]D-threoninol</strong> and 0.58 g (4.29 mmol) of 1-hydroxybenzotriazol (HOBO were placed in a recovery flask, and dissolved in 20 mL of dimethylformamide (DMF). 0.89 g (4.31 mmol) of dicyclohexylcarbodiimide (DCC) dissolved in 10 mL of dimethylformamide were prepared, gradually added to the recovery flask, and reacted for 10 hours or more. Next, the reaction solution in the recovery flask was suction filtered, and the filtrate after removal of the solids was concentrated under reduced pressure to obtain a residue. The residue of the filtrate was purified by silica gel column chromatography (chloroform:methanol=20:1 developing solvent) to obtain 1.34 g (3.47 mmol) of a Compound 2-4. The yield was about 100%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In tetrahydrofuran; for 16h; | A mixture of 4-chlorobenzene-l-sulfonyl chloride (3.82 g, 18.12 mmol), (2S,3S)- 2-aminobutane-l ,3-diol (<strong>[44520-55-0]D-threoninol</strong>, 2.0g, 19.02 mmol) and potassium carbonate in anhydrous THF (20 mL) was stirred for 16 h. THF was removed in vacuo and the residue was partitioned between water (20 mL) and ethyl acetate (30 mL). The organic layer was separated and washed with 2N HCl, water, 10 % sodium bicarbonate solution, water, brine and dried. Filtration and removal of solvent provided 4.30 g of final product.MS (m/z): 280.42 (M++l) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54.3% | With potassium carbonate; In tetrahydrofuran; at 20℃; for 6h; | To a solution of (2S,35)-2-aminobutane-l,3-diol (<strong>[44520-55-0]D-threoninol</strong>, 880 mg, 8.12 mmol) in THF (15 mL) and potassium carbonate, 5-chlorothiophene-2-sulfonyl chloride(1679 mg, 7.73 mmol) in THF (3 mL) was added. The reaction mixture was stirred at room temperature for 6 h and then quenched with water (20 mL). THF was removed in vacuo, the residue was extracted with ethyl acetate and the organic layer was washed with water, brine and dried. After standard work-up, 1.378 g of crude liquid was purified by flash chromatography (hexane:ethyl acetate, 0-90%) to provide 1.20 g (54.3%) of product.MS (m/z): 285.81 (M++l) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93% | With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20℃; for 5h;Inert atmosphere; | 4.11 (Z)-N-((2S,3S)-1,3-Dihydroxybutan-2-yl)-11,12-dihydro-dibenzo[c,g][1,2]diazocine-2-carboxamide (13) To a solution of 11,12-dihydrodibenzo[c,g][1,2]diazocine-2-carboxylic acid 12 (100 mg, 0.397 mmol) in dry N,N-dimethyl formamide (2.0 ml), d-threoninol (35 mg, 0.33 mmol), N,N'-dicyclohexylcarbodiimide (82 mg, 0.40 mmol) and N-hydroxysuccinamide (46 mg, 0.40 mmol) were added. After the reaction mixture was stirred for 5 h at room temperature under a nitrogen atmosphere, the precipitate was removed by filtration and the filtrate was evaporated under reduced pressure. The oily residue was purified by column chromatography on silica gel. Evaporation of appropriate fractions, which were eluted by dicholoromethane-methanol (95:5 v/v), gave the title compound as a pale yellow solid (105 mg, 93% based on d-threoninol). Rf: 0.74 (dichloromethane-methanol, 90:10 v/v). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47% | <strong>[44520-55-0]D-threoninol</strong> (2 g, 19.02 mmol) was dissolved in DMF (15 ml), treated with imidazole (3.89 g, 57.1 mmol) and stirred at RT for 5 min. Then, TBDPS-Cl (5.13 ml, 19.97 mmol) was added dropwise to the reaction solution under argon. The reaction solution was stirred for 16H at RT. Then it was diluted in EtOAc and washed twice with saturated NaHCO3 solution and once with brine. Organic layer was dried over Na2SO4, filtered and concentrated. The residue was purified by flash chromatography (heptane/EtOAc: 100%?0% heptane.) to give the title compound (3.21 g, 47%). tR: 0.98 min (LC-MS 1); ESI-MS: 344.3 [M+H]+ (LC-MS 1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 16h; | [000129] N-((2S, 3S)-1, 3-dihydroxybutan-2-yl)-4-undecylpiperidine-2-carboxamide ( CYD- 5-73). To a solution of CYD-1-66 (70 mg, 0.18 mmol) and <strong>[44520-55-0]D-threoninol</strong> (20 mg, 0.18 mmol) in 4 mL of DMF was added HBTU (89 mg, 0.23 mmol) and DIPEA (58 mg, 0.45 mmol). The resulting mixture was stirred at room temperature for 16 h. The solvent DMF was removed under vacuum to give an oily residue, which was then partitioned between CH2CI2 (50 mL) and 10%) citric aqueous solution (10 mL). The organic layer was separated and washed with saturated aqueous NaHC03 (10 mL). After drying over anhydrous Na2S04, the solvent was removed under vacuum to give an oily residue. This residue was purified with silica gel column; eluting with 5% MeOH in CH2C12 afforded the amide CYD-5-63 (60 mg, 67%). The amide CYD-5-63 (60 mg, 0.12 mmol) was dissolved in CH2C12 (4 mL), followed by the addition of TFA (1 mL). The resulting mixture was stirred at room temperature. After 2 h, TLC showed the starting material disappeared. The solvent was removed under vacuum to give an oily residue, which was partitioned between CH2C12 (30 mL) and saturated NaHC03 aqueous solution (10 mL). The organic layer was dried over anhydrous Na2S04, filtered and concentrated to give an oily residue. This residue was purified with silica gel column; eluting with 10% MeOH in CH2C12 afforded CYD-5-73 (45 mg, 95%) as a colorless gel. 1H NMR (600 MHz, CDC13) delta 7.59 (m, 1H), 4.78 (br s, 3H), 4.06 (m, 1H), 3.74 (m, 3H), 3.5 (m, 1H), , 3.22 (m, 1H), 2.73 (q, 1H, J = 13.8 Hz), 2.06 (m, 1H), 1.74 (t, 1H, J = 13.8 Hz), 1.47 (m, 1H), 1.25 (m, 19H), 1.15 (m, 5H), 0.87 (t, 3H, J = 7.2 Hz). 13C NMR (150 MHz, CDC13): delta 173.7, 172.9, 67.6, 67.4, 63.3, 60.3, 59.7, 55.5, 45.2, 44.7, 36.7, 36.2, 36.0, 35.5, 35.2, 31.9, 31.2, 30.9, 29.8, 29.6, 29.3, 26.4 (2C), 22.6, 20.3, 14.1. |
67% | With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 16h; | To a solution of CYD-1-66 (70 mg, 0.18 mmol) and <strong>[44520-55-0]D-threoninol</strong> (20 mg, 0.18 mmol) in 4 mL of DMF was added HBTU (89 mg, 0.23 mmol) and DIPEA (58 mg, 0.45 mmol). The resulting mixture was stirred at room temperature for 16 h. The solvent DMF was removed under vacuum to give an oily residue, which was then partitioned between CH2Cl2 (50 mL) and 10% citric aqueous solution (10 mL). The organic layer was separated and washed with saturated aqueous NaHCO3 (10 mL). After drying over anhydrous Na2SO4, the solvent was removed under vacuum to give an oily residue. This residue was purified with silica gel column; eluting with 5% MeOH in CH2Cl2 afforded the amide CYD-5-63 (60 mg, 67%). The amide CYD-5-63 (60 mg, 0.12 mmol) was dissolved in CH2Cl2 (4 mL), followed by the addition of TFA (1 mL). The resulting mixture was stirred at room temperature. After 2 h, TLC showed the starting material disappeared. The solvent was removed under vacuum to give an oily residue, which was partitioned between CH2Cl2 (30 mL) and saturated NaHCO3 aqueous solution (10 mL). The organic layer was dried over anhydrous Na2SO4, filtered and concentrated to give an oily residue. This residue was purified with silica gel column; eluting with 10% MeOH in CH2Cl2 afforded CYD-5-73 (45 mg, 95%) as a colorless gel. 1H NMR (600 MHz, CDCl3) delta 7.59 (m, 1H), 4.78 (br s, 3H), 4.06 (m, 1H), 3.74 (m, 3H), 3.5 (m, 1H), (m, 1H), 2.73 (q, 1H, J=13.8 Hz), 2.06 (m, 1H), 1.74 (t, 1H, J=13.8 Hz), 1.47 (m, 1H), 1.25 (m, 19H), 1.15 (m, 5H), 0.87 (t, 3H, J=7.2 Hz). 13C NMR (150 MHz, CDCl3): delta 173.7, 172.9, 67.6, 67.4, 63.3, 60.3, 59.7, 55.5, 45.2, 44.7, 36.7, 36.2, 36.0, 35.5, 35.2, 31.9, 31.2, 30.9, 29.8, 29.6, 29.3, 26.4 (2C), 22.6, 20.3, 14.1. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; at 20℃; for 24h; | <strong>[44520-55-0]D-threoninol</strong> (0.27 g, 2.7 mmol) was added to a DMF solution (20 mL) of Compound 5 (0.75 g, 2.7 mmol), WSC (0.5 g, 2.7 mmol), HOBt (0.35 g, 2.7 mmol), and stirred at room temperature for 24 hours. After confirming the disappearance of the raw materials with TLC (chloroform:methanol, 9:1), the reaction mixture solution was diluted with chloroform. This solution was washed with water and a saturated aqueous solution of sodium hydrogen carbonate, and then purification was performed by silica gel column chromatography (chloroform:methanol, 9:1). (yield: 0.92 g, 2.6 mmol, yield %: 94%) (0186) 1H-NMR (400 MHz, DMSO-d6): delta 8.5 (s, 1H, NHCO), 8.0-7.2 (in, 8H, Ar-H, ArCH), 6.4 (d, 0.78H, trans-CNCH), 5.7 (d, 0.21H, cis-CNCH), 5.1 (t, 2H, CH2CO), 4.7 (m, 2H, CH2OH), 3.9 (m, 1H, NCH), 3.6 (q, 1H, CH2OH), 3.5 (m, 1H, CHOH), 3.4 (m, 1H, CHOH), 1.0 (d, 3H, CH3). MALDI-TOF-MS: calcd.; 363.15 [(M+H)+]. found; 364.71. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | To a solution of 2-trifluoromethylacrylic acid (5.60 g, 40 mmol) in isopropanol (80 mL) in a 300-mL Parr reactor was added (S)-Ru(BINAP)Cl2 (954 mg, 1.20 mmol). The resulting orange mixture was purged with N2 (*3), and then the reaction mixture was stirred under H2 atmosphere (100 psi) at ambient temperature overnight. GCMS analysis after 15 h showed complete conversion to the desired acid (R)-1. The reaction mixture was filtered through a pad of Celite. The reactor was rinsed with additional isopropanol (20 mL) and filtered. The resulting brownish filtrate was concentrated in vacuo to 80 mL and used directly in the next step. To a brownish solution of (R)-1 (5.68 g, 40 mmol) in isopropanol (80 mL) was added l-threoninol (4.21 g, 40 mmol). The resulting mixture was heated at 80 C for 15 min to solubilize all of the solids, then the solution was allowed to slowly cool down to ambient temperature with stirring overnight. After 15 h, the precipitate was collected by filtration and re-crystallized from isopropanol to obtain the desired product (R)-3 as a white crystalline solid (6.93 g, 70%). 1H NMR (CD3OD, 400 MHz) delta ppm 3.85 (app qn, J = 6.5 Hz, 1H), 3.77 (dd, J = 11.8, 3.8 Hz, 1H), 3.63 (dd, J = 11.8, 6.5 Hz, 1H), 3.06-2.91 (m, 2H), 1.31 (d, J = 7.2 Hz, 3H), 1.25 (d, J = 6.3 Hz, 3H). 13C NMR (CDCl3, 101 MHz) delta ppm 175.3, 128.0 (q, J = 278.1 Hz, 1C), 65.6, 60.4 (2C), 48.2 (q, J = 25.5 Hz, 1C), 20.5, 12.3. 19F NMR (CD3OD, 101 MHz) delta ppm -71.6 (d, J = 9.2 Hz). GCMS, m/z: calculated for C4H4F3O [M-C4H11NO2 (counterion)-OH] 125.0, found 125.0. Anal. Calcd (%) for C8H16F3NO4: C 38.87, H 6.52, N 5.67, F 23.05; found C 38.88, H 6.63, N 5.63, F 23.57. [alpha]D25 = -6.6 (c 1.3, MeOH), ee = 94%. Note: the ee was determined by first converting the salt to the free acid using 1.0 N aqueous HCl and then analyzing the free acid by chiral GC. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In isopropyl alcohol; at 20 - 70℃; | General procedure: To a solution of racemic acid 1 (5.68 mg, 0.04 mmol, 1 equiv) in IPA (0.2 mL, 0.2 M) was added the chiral base (0.04 mmol, 1 equiv as a 0.2 M stock solution in IPA). The resulting mixture was heated at 70 C for 15 min to solubilize all the solids, and then allowed to cool naturally to ambient temperature with stirring overnight. Overall, 23 precipitates were obtained from the 80 combinations. The enantiomeric excess of the solid precipitate and the liquor for each reaction was analyzed by SFC. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; at 20℃; | AZO-01 (390 mg, 1.0 mmol) was added to a round bottom flask.D-threonol(106 mg, 1.0 mmol), dicyclohexylcarbodiimide(DCC, 247 mg, 1.2 mmol), 1-hydroxybenzotriazole (HOBT, 162 mg, 1.2 mmol)And 4-dimethylaminopyridine (DMAP, 24 mg, 0.2 mmol),And add an appropriate amount of water to it.Tetrahydrofuran and methanol,The reaction was stirred at room temperature overnight. After the reaction,Filtration removes the precipitate,The crude product is separated and purified by silica gel column. |
Tags: 44520-55-0 synthesis path| 44520-55-0 SDS| 44520-55-0 COA| 44520-55-0 purity| 44520-55-0 application| 44520-55-0 NMR| 44520-55-0 COA| 44520-55-0 structure
[ 2026-48-4 ]
(S)-2-Amino-3-methylbutan-1-ol
Similarity: 0.70
[ 112245-13-3 ]
(S)-2-Amino-3,3-dimethylbutan-1-ol
Similarity: 0.67
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P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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