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CAS No. : | 924307-75-5 | MDL No. : | MFCD31620812 |
Formula : | C13H21NO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | MUWAMLYKLZSGPE-ZANVPECISA-N |
M.W : | 255.31 | Pubchem ID : | 16067766 |
Synonyms : |
|
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 |
---|---|---|
49.9% | Supercritical conditions | The compound 37C (1 g) was resolved by SFC to give two isomers. SFC method: Column: AY(250mm *30mm, 1 Oum) Mobile phase: A: CO7 13:0.1 percentNH3H2O ETOH; Gradient: 15percent of B; Flow rate: 6OmL/inin.The compound 37C was separated by SFC to give compound 371) (500 mg, yield:49.9percent) (Rt 149 mm) and compound 37E (450 mg, yield: 259percent) (Rt == 2.68 mm) both asyellow oil. ‘1-1 NMR (400MHz, DMSO-d6) 764 (s, IH), 567- 554 (m, 1FF). 5.21 (hr d, J::::17.2 Hz, 1H), 5.07-5.01 (m, 1H), 4.10- 394 (rn, 2H), 2.08 (q, J:::: 8.7 Hz, lET), 157- 1.44(m, 1H), 1.38- 1.31 (m, 9H), 127- 123 (m, 1H), 1.18- 1.10 (m, 3H). MS (ESI m/z (M100Y 155.8.‘HMR (400’llTz, DMSO-d6) 5 7.64 (s, 1H), 5.67- 5.54 (m, IH), 5.21 (hr d, J=17.0 Hz, 1H), 5.04 (dd,J= 1.7, 10.3 Hz, 1H), 4.11 —3.95 (m, 2H), 2.08 (q,J= 8.8 Hz, IH),1.54 (brdd,J= 5.4, 7.2 Hz, IH), 1.38- 1.31 (m, 9H), 1.27 -1.23 (m, IH), 1.19- 1.10 (m,3H). MS (ESI) m/ (M-i00 1559.. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In 1,4-dioxane; hydrogenchloride; | A.3 Preparation of Racemic (1R,2S)/(1S,2R) 1-amino -2-vinylcyclopropane carboxylic acid ethyl ester hydrochloride <strong>[924307-75-5]N-Boc-(1R,2S/1S,2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester</strong> (9.39 g, 36.8 mmol) was dissolved in 4N HCl/dioxane (90 ml, 360 mmol) and was stirred for 2 h at rt. The reaction mixture was concentrated to supply (1R,2S/1S,2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester hydrochloride in quanitative yield (7 g, 100%). 1H NMR (Methanol-d4) delta: 1.32 (t, J=7.1, 3H), 1.72 (dd, J=10.2, 6.6 Hz, 1H), 1.81 (dd, J=8.3, 6.6 Hz, 1H), 2.38 (q, J=8.3 Hz, 1H), 4.26-4.34 (m, 2H), 5.24 (dd, 10.3, 1.3 Hz, 1H) 5.40 (d, J=17.2, 1H), 5.69-5.81 (m, 1H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tert-butyl methyl ether; toluene; at 20℃; for 99h;Reflux; | To a suspension of lithium tert-butoxide (84.1 g, 1.05 mol) in dry toluene (1.2 L), was added dropwise a mixture of the N-benzyl imine of glycine ethyl ester (100 g, 0.526 mol) and trans-1,4-dibromo-2-butene (107 g, 0.500 mol) in dry toluene (0.6 L) over 60 minutes. Upon completion of the addition, the deep red mixture was quenched by addition of water (1 L) and tert-butylmethyl ether (TBME, 1 L). The aqueous phase was separated and extracted a second time with TBME (1 L). The organic phases were combined, 1.0M HCl (1 L) was added and the mixture stirred at room temperature for 2 hours. The organic phase was separated and extracted with water (0.8 L). The aqueous phases were then combined, saturated with salt (700 g), and TBME (1 L) was added and the mixture was cooled to 0 C. The stirred mixture was then made basic to pH=14 by the dropwise addition of 10.0M NaOH, the organic layer was separated, and the aqueous phase was extracted with TBME (2×500 mL). The organic extracts were combined, dried over MgSO4, filtered and concentrated to a volume of 1 L. To this solution of free amine was added Boc2O or di-tert-butyldicarbonate (131 g, 0.600 mol) and the mixture stirred for 4 days at room temperature. Additional di-tert-butyldicarbonate (50 g, 0.23 mol) was added to the reaction and the mixture was refluxed for 3 hours and was then allowed cool to room temperature overnight. The reaction mixture was dried over MgSO4, filtered, and concentrated in vacuo to provide 80 g of crude material. This residue was purified by flash chromatography (2.5 kg of SiO2, eluted with 1% to 2% CH3OH/CH2Cl2) to provide 57 g (53%) of racemic N-Boc-(1R,2S)/(1S, 2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester as a yellow oil which solidified while sitting in the refrigerator: 1H NMR (CDCl3, 300 MHz) delta 1.26 (t, J=7.1 Hz, 3H), 1.46 (s, 9H), 1.43-1.49 (m, 1H), 1.76-1.82 (br m, 1H), 2.14 (q, J=8.6 Hz, 1H), 4.18 (q, J=7.2 Hz, 2H), 5.12 (dd J=10.3, 1.7 Hz, 1H), 5.25 (br s, 1H), 5.29 (dd, J=17.6, 1.7 Hz, 1H), 5.77 (ddd, J=17.6, 10.3, 8.9 Hz, 1H); MS m/z 254.16 (M-1). | |
at 20℃;Heating / reflux; | To a suspension of lithium tert-butoxide (84.06 g, 1.05 mol) in dry toluene (1.2 L), was added dropwise a mixture of the N-benzyl imine of glycine ethyl ester (100.4 g, 0.526 mol) and trans-1,4-dibromo-2-butene (107.0 g, 0.500 mol) in dry toluene (0.6 L) over 60 min. After completion of the addition, the deep red mixture was quenched by addition of water (1 L) and tert-butylmethyl ether (TBME, 1 L). The aqueous phase was separated and extracted a second time with TBME (1 L). The organic phases were combined, 1 N HCl (1 L) was added and the mixture stirred at room temperature for 2 h. The organic phase was separated and extracted with water (0.8 L). The aqueous phases were then combined, saturated with salt (700 g), TBME (1 L) was added and the mixture cooled to 0 C. The stirred mixture was then basified to pH 14 by the dropwise addition of 10 N NaOH, the organic layer separated, and the aqueous phase extracted with TBME (2×500 mL). The combined organic extracts were dried (MgSO4) and concentrated to a volume of 1 L. To this solution of free amine, was added BOC2O or di-tert-butyldicarbonate (131.0 g, 0.6 mol) and the mixture stirred 4 days at rt. Additional di-tert-butyldicarbonate (50 g, 0.23 mol) was added to the reaction, the mixture refluxed for 3 h, and was then allowed cool to room temperature overnight. The reaction mixture was dried over MgSO4 and concentrated in vacuo to afford 80 g of crude material. This residue was purified by flash chromatography (2.5 Kg of SiO2, eluted with 1% to 2% MeOH/CH2Cl2) to afford 57 g (53%) of racemic N-Boc-(1R,2S)/(1S,2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester as a yellow oil which solidified while sitting in the refrigerator: 1H NMR (CDCl3, 300 MHz) delta 1.26 (t, J=7.1 Hz, 3H), 1.46 (s, 9H), 1.43-1.49 (m, 1H), 1.76-1.82 (br m, 1H), 2.14 (q, J=8.6 Hz, 1H), 4.18 (q, J=7.2 Hz, 2H), 5.12 (dd J=10.3, 1.7 Hz, 1H), 5.25 (br s, 1H), 5.29 (dd, J=17.6, 1.7 Hz, 1H), 5.77 (ddd, J=17.6, 10.3, 8.9 Hz, 1H); MS m/z 254.16 (M-1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; In 1,4-dioxane; at 20℃; for 2h; | N-Boc-(1R,2 S)/(1S,2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester (9.39 g, 36.8 mmol) was dissolved in 4 N HCl/dioxane (90 ml, 360 mmol) and was stirred for 2 h at rt. The reaction mixture was concentrated to supply (1R,2S)/(1S,2R)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester hydrochloride in quanitative yield (7 g, 100%). 1H NMR (methanol-d4) delta 1.32 (t, J=7.1, 3H), 1.72 (dd, J=10.2, 6.6 Hz, 1H), 1.81 (dd, J=8.3, 6.6 Hz, 1H), 2.38 (q, J=8.3 Hz, 1H), 4.26-4.34 (m, 2H), 5.24 (dd, 10.3, 1.3 Hz, 1H) 5.40 (d, J=17.2, 1H), 5.69-5.81 (m, 1H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Resolution A; To an aqueous solution of sodium phosphate buffer (0.1 M, 4.25 liter ("L"), pH 8) housed in a 12 Liter jacked reactor, maintained at 39C, and stirred at 300 rpm <n="43"/>was added 511 grams of Alcalase 2.4L (about 425 mL) (Novozymes North America Inc.). When the temperature of the mixture reached 39C, the pH was adjusted to 8.0 by the addition of a 50% NaOH in water. A solution of the racemic N-Boc- (li?,25)/(l«S,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (85g) in 850 mL of DMSO was then added over a period of 40 min. The reaction temperature was then maintained at 400C for 24.5h during which time the pH of the mixture was adjusted to 8.0 at the 1.5h and 19.5h time points using 50% NaOH in water. After 24.5h, the enantio-excess of the ester was determined to be 97.2%, and the reaction was cooled to room temperature (26C) and stirred overnight (16h) after which the enantio-excess of the ester was determined to be 100%. The pH of the reaction mixture was then adjusted to 8.5 with 50% NaOH and the resulting mixture was extracted with MTBE (2 x 2 L). The combined MTBE extract was then washed with 5% nuaHCtheta3 (3 x 100 mL), water (3 x 100 mL), and evaporated in vacuo to give the enantiomerically pure N-Boc-( R,2S)I- l-amino-2-vinylcyclopropane carboxylic acid ethyl ester as light yellow solid (42.55 g; purity: 97% (at) 210 nanomolar ("nM"), containing no acid; 100% enantiomeric excess ("ee").The aqueous layer from the extraction process was then acidified to pH 2 with 50% H2SO4 and extracted with MTBE (2 x 2 L). The MTBE extract was washed with water (3 x 100 mL) and evaporated to give the acid as light yellow solid (42.74 g; purity: 99% (at) 210 nM, containing no ester).; Resolution D; 5 L of 0.3 M sodium phosphate buffer (pH 8) was maintained at 38C in a 20 Liter jacked reactor, stirred at 130 rpm. Four liters of Alcalase 2.4L (Novozymes North America Inc.) and 1 liter of DI water were added to the reactor. When temperature of the mixture closed to 38C, pH was adjusted to 7.8 with 10 N NaOH. A solution of the racemic N-Boc-(lR,25y(lS,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (500 grams) in 5 liters DMSO was added to the reactor over a period of 1 hour via an addition funel. The reaction temperature was then adjusted to 48C. After 21 hours, enantio-excess of the ester reached 99.3%. Heating was stopped at 24 hour and the reaction was slowly cooled down to room temperature (about 25C) and stirred overnight. pH of the reaction mixture was adjusted to 8.5 with 10 nu NaOH and the mixture was extracted with MTBE (2 x 4 L). The combined MTBE extract was washed with 5% nuaHCtheta3 (3 x 400 ml) and water (3 x 400 ml), and evaporated to give enantiomerically pure N-Boc-( R,2S)I- l-amino-2- vinylcyclopropane carboxylic acid ethyl ester as light yellow crystal (259 g; purity: 96.9% (at) 210 nM, containing no acid; 100%ee).; Resolution E10 L of 0.1 M sodium phosphate buffer (pH 8) was maintained at 400C in a 20 Liter <n="47"/>jacked reactor, stirred at 360 rpm. 1.5 liters of Alcalase 2.4L (Novozymes North America Inc.) was added to the reactor. When temperature of the mixture closed to 38C, pH was adjusted to 8.0 with 10 N NaOH. A solution of the racemic N-Boc- (li?,25)/(l«S,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (200 grams) in 2 liters DMSO was added to the reactor over a period of 1 hour via an addition funel. The reaction temperature was then adjusted to 400C. After 3 hours, pH was adjusted to 8.0 with 10 nu NaOH. After 21 hours, the reaction was cooled down to 25C. pH of the reaction mixture was adjusted to 8.5 with 10 nu NaOH and the mixture was extracted with MTBE (2 x 5 L). The combined MTBE extract was washed with 5% NaHCO3 (3 x 500 ml) and water (3 x 200 ml), and evaporated to give 110 gram of yellow oil. The oil was set at room temperature under house vacuum and gave enantiomerically pure N-Boc-( R,2S)I- l-amino-2- vinylcyclopropane carboxylic acid ethyl ester as colorless long rod crystal (101 g; purity: 97.9% (at) 210 nM, containing no acid; 100%ee). The crystal structure enantiomerically pure N-Boc-( R,2S)I- 1 -amino-2- vinylcyclopropane carboxylic acid ethyl ester has been characterized by single crystal analysis (X-ray nuBNo.: 52795-093, refcode: 634592N1). The absolute configuration is not established for lack of a known chiral center or heavier atom(s). A chain structure along the crystallographic alpha-axis is formed via intermolecular hydrogen bonding between the amide group and the carbonyl oxygen atom (N...0 3.159 A).Structure ofN-Boc-(lR,2S)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester: <n="48"/>Structure of N-Boc-(lR,2S)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester:Crystal Data: Experimental:Chemical formula: C13H21nu1O4 CrystallizationCrystal system: Orthorhombic Crystal source: MTBESpace Group: Pl1I1I1 Crystal description: Colorless rod a = 5.2902(I) A alpha=90 Crystal size (mm): 0.12 X 0.26 X 0.30 b = 13.... | ||
With water;esperase 8.0L; In dimethyl sulfoxide; at 40℃; for 90h;pH 8.5;Heps-Na buffer; Enzymatic reaction; Resolution of racemate;Product distribution / selectivity; | Resolution C; To 0.5 ml 100 mM Heps»Na buffer (pH 8.5) in a well of a 24 well plate(capacity: 10 mL/well), 0.1 ml of Esperase 8.0L, (protease from Bacillus halodurans) (Novozymes North America Inc.) and a solution of the racemic N-Boc- (lR,25)/(lS,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (10 mg) in 0.1 mL of DMSO were added. The plate was sealed and incubated at 250 rpm at 400C. After 18 hour, enantio-excess of the ester was determined to be 39.6% as following: 0.1 mL of the reaction mixture was removed and mixed well with 1 mL ethanol; after cenrifugation, 10 mul of the supernatant was analyzed with the chiral HPLC. To the remaining reaction mixture, 0.1 mL of DMSO was added, and the plate was incubated for additional 3 days at 250 rpm at 400C, after which four mL of ethanol was added to the well. After centrifugation, 10 mul of the supernatant was analyzed with the chiral HPLC and enantio-excess of the ester was determined to be100%.Samples analysis was carried out in the following manner:1) Sample preparation: About 0.5 ml of the reaction mixture was mixed well with 10 volume of EtOH. After centrifugation, 10 mul of the supernatant was injected ontoHPLC column.2) Conversion determination:Column: YMC ODS A, 4.6 x 50 millimeter ("mm"), S-5 mum Solvent: A, 1 mM HCl in water; B, MeCN Gradient: 30% B for 1 min; 30% to 45% B over 0.5 min; 45% B for 1.5 min; 45% to 30% B over 0.5 min. Flow rate: 2 ml/min <n="46"/>UV Detection: 21O nMRetention time: acid, 1.2 min; ester, 2.8 min.3) Enantio-excess determination for the ester: Column: CHIRACEL OD-RH, 4.6 x 150 mm, S-5 mum Mobile phase: MeCN/50 mM HClO4 in water (67/33) Flow rate: 0.75 ml/min. UV Detection: 210 nM. Retention time: (15r,2i?)-l-amino-2-vinylcyclopropane carboxylic acid 5.2 min;Racemate (li?,25)/(15r,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester18.5 min and 20.0 min;(li?,25)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester 18.5 min. | |
With water;savinase 16.0L; In dimethyl sulfoxide; at 40℃; for 90h;pH 8.5;Heps-Na buffer; Enzymatic reaction; Resolution of racemate;Product distribution / selectivity; | Resolution B; To 0.5 mL 100 millimolar ("mM") Heps»Na buffer (pH 8.5) in a well of a 24 well plate (capacity: 10 ml/well), 0.1 mL of Savinase 16.0L (protease from Bacillus clausi) (Novozymes North America Inc.) and a solution of the racemic N-Boc- (li?,25)/(15r,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (10 mg) in 0.1 mL of DMSO were added. The plate was sealed and incubated at 250 rpm at 400C. After 18h, enantio-excess of the ester was determined to be 44.3% as <n="45"/>following: 0.1 mL of the reaction mixture was removed and mixed well with 1 mL ethanol; after centrifugation, 10 microliter ("mul") of the supernatant was analyzed with the chiral HPLC. To the remaining reaction mixture, 0.1 mL of DMSO was added, and the plate was incubated for additional 3 days at 250 rpm at 400C, after which four mL of ethanol was added to the well. After centrifugation, 10 mul of the supernatant was analyzed with the chiral HPLC and enantio-excess of the ester was determined to be 100%. |
Resolution F; 5 L of 0.2 M sodium borate buffer (pH 9) was maintained at 45C in a 20 liter jacked reactor, stirred at 400 rpm. Three liter of DI water and four liters of Savinase 16L, type EX (Novozymes North America Inc.) were added to the reactor. When temperature of the mixture closed to 45C, pH was adjusted to 8.5 with 10 N NaOH. A solution of the racemic N-Boc-(lR,25y(l«S,2R)-l-amino-2-vinylcyclopropane carboxylic acid ethyl ester (200 grams) in 2 liters DMSO was added to the reactor over a period of 40 min, via an addition funel. The reaction temperature was then adjusted to 48C. After 2 hours, pH was adjusted to pH 9.0 with 10 nu NaOH. At 18 hour, enantio-excess of the ester reached 72%, pH was adjusted to 9.0 with 10 nu <n="49"/>NaOH. At 24 hour, temperature was lowered to 35C. At 42 hour, temperature was raised to 48C and pH was adjusted to 9.0 with IO N NaOH. Heating was stopped at 48 hour and the reaction was slowly cooled down to room temperature (about 25C) and stirred overnight. At 66 hour, pH of the reaction mixture was 8.6. The mixture was extracted with MTBE (2 x 4 L). The combined MTBE extract was washed with 5% NaHCtheta3 (6 x 300 ml) and water (3 x 300 ml), and evaporated to give give enantiomerically pure N-Boc-( R,2S)I- l-amino-2-vinylcyclopropane carboxylic acid ethyl ester as light yellow crystal (101 A g; purity: 95.9% (at) 210 nM, containing no acid; 98.6%ee). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47% | With sodium phosphate; sodium hydroxide; In water; dimethyl sulfoxide; at 40℃; for 24h;pH 8;Enzymatic reaction; | Alcalase 2.4 L (52 mL) proteolytic enzyme was added into sodium phosphate buffer (0.1 M, 550 mL, pH = 8). The mixture was warmed to 39 C, and 50% aqueous sodium hydroxide solution was added to adjusted pH 8.0. At this temperature, a solution of compound 2-4 (10.58 g, 42.5 mmol) in DMSO (100 mL) was added over 20 mm. And then, the mixture was warmed to 40 C and stirred for 24 hours. Aqueous sodium hydroxide solution (50%) was addedfrequently to keep pH about 8.0 during the reaction process. The mixture was cooled to 30 C and further stirred for 48 hours. The mixture was adjusted with aqueous sodium hydroxide solution (50%) to pH 8.5. The resulting mixture was extracted with MTBE (150 mL) twice. The combined organic layers were washed with aqueous NaHCO3 solution (5%, 50 mL) thrice and with water (50 mL) thrice, and dried over anhydrous Na2SO4 and concentrated in vacuo to give compound 2-5 (5.01 g, 47%) as a yellow solid. MS (ESI, pos.ion) m/z: 256.1[M+1]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
12 g | With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 0 - 30℃; | A solution of compound 2-5 (14.57 g, 57 mmol) in THF (100 mL) and methanol (50 mL) was cooled to 0 C, and then a solution of lithium hydroxide (4.79 g, 114 mmol) in water (25 mL) was added dropwise. After the addition, the mixture was warmed to 30 C and stirred overnight. The mixture was concentrated to afford solid; the solid was participated between ethyl acetate (50 mL) and water (50 mL). The water phase was adjusted with hydrochloric acid (1 M) to pH 4. The resulting mixture was extracted with ethyl acetate (50 mL) thrice. The combined organic layers were washed with saturated aqueous NaC1 and dried over anhydrous Na2504, and concentrated in vacuo to afford a crude product 2-6 (12 g), which was used in next step without further purification. MS (ESI, pos.ion) m/z: 228.1[M+1]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49.9%; 25.9% | With ammonium hydroxide; carbon dioxide;Supercritical conditions; | The compound 37C (1 g) was resolved by SFC to give two isomers. SFC method: Column: AY(250mm *30mm, 1 Oum) Mobile phase: A: CO7 13:0.1 %NH3H2O ETOH; Gradient: 15% of B; Flow rate: 6OmL/inin.The compound 37C was separated by SFC to give compound 371) (500 mg, yield:49.9%) (Rt 149 mm) and compound 37E (450 mg, yield: 259%) (Rt == 2.68 mm) both asyellow oil. ?1-1 NMR (400MHz, DMSO-d6) 764 (s, IH), 567- 554 (m, 1FF). 5.21 (hr d, J::::17.2 Hz, 1H), 5.07-5.01 (m, 1H), 4.10- 394 (rn, 2H), 2.08 (q, J:::: 8.7 Hz, lET), 157- 1.44(m, 1H), 1.38- 1.31 (m, 9H), 127- 123 (m, 1H), 1.18- 1.10 (m, 3H). MS (ESI m/z (M100Y 155.8.?HMR (400?llTz, DMSO-d6) 5 7.64 (s, 1H), 5.67- 5.54 (m, IH), 5.21 (hr d, J=17.0 Hz, 1H), 5.04 (dd,J= 1.7, 10.3 Hz, 1H), 4.11 -3.95 (m, 2H), 2.08 (q,J= 8.8 Hz, IH),1.54 (brdd,J= 5.4, 7.2 Hz, IH), 1.38- 1.31 (m, 9H), 1.27 -1.23 (m, IH), 1.19- 1.10 (m,3H). MS (ESI) m/ (M-i00 1559.. |
Tags: 924307-75-5 synthesis path| 924307-75-5 SDS| 924307-75-5 COA| 924307-75-5 purity| 924307-75-5 application| 924307-75-5 NMR| 924307-75-5 COA| 924307-75-5 structure
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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 |
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