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CAS No. : | 61516-73-2 | MDL No. : | MFCD00090741 |
Formula : | C8H13NO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AQZWKPDVWWJWRY-UHFFFAOYSA-N |
M.W : | 171.19 | Pubchem ID : | 109094 |
Synonyms : |
|
Chemical Name : | Ethyl 2-(2-oxopyrrolidin-1-yl)acetate |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | |
Hazard Statements: | H317-H319 | Packing Group: | |
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 |
---|---|---|
82% | With sodium hydride at 100 - 140℃; for 8h; | |
54% | at 150℃; for 3.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | at 100℃; for 16h; | |
63% | at 100℃; for 6h; Heating; | |
4 EXAMPLE 4 EXAMPLE 4 From 12.8 g. of ethyl 2-oxo-1-pyrrolidineacetate and 19.2 g. of 2-(1-piperidinyl)ethylamine ›Compt. rend. 233, 1121[(1951)], following the procedure of Example 1, there is obtained 2-oxo-N-[2-(1-piperidinyl)ethyl]-1-pyrrolidineacetamide; b.p. 185°-187° C./0.15 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | In isopropyl alcohol for 10h; Heating; | |
60% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | at 100℃; for 16h; | |
10 EXAMPLE 10 EXAMPLE 10 From 8.56 g. of ethyl 2-oxo-1-pyrrolidineacetate and 12.5 g. of 2-methyl-2-(1-piperidinyl)propylamine ›J.A.C.S. 68, 13[(1946)], following the procedure of Example 9, there is obtained N-[2-methyl-2-(1-piperidinyl)propyl]-2-oxo-1-pyrrolidineacetamide; m.p. 69° C. after crystallization from heptane. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With N-benzyl-trimethylammonium hydroxide at 20℃; Neat (no solvent); chemoselective reaction; | |
45% | Stage #1: 2-pyrrolidinon With sodium hydride In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #2: chloroacetic acid ethyl ester In toluene at 110℃; Inert atmosphere; | 2.1 STEP 1: To a solution of pyrrolidin-2-one (10 g) in toluene (100 mL) was added NaH (5.5 g) portionwise at 0 °C under N2. The suspension was stirred for 30 minutes and ethyl 2-chloroacetate (15.8 g) was added by a syringe. The reaction was then heated to 110 °C and stirred overnight under N2. After adding 1 N HCI to quench the reaction, it was partitioned between EtOAc and water. The organic layer was washed with brine, dried over Na2SO4, and concentrated down to give the crude product, which was purified bycolumn chromatography (silica gel: 0-50% EtOAc in petroleum ether) to afford ethyl 2-(2- oxopyrrolidin-1-yl)acetate (9 g, LC/MS (ESI): mlz (M+1) = 172.08, yield = 45%). |
With sodium 1.) benzene, reflux, 2.) benzene, reflux, 1 h; Yield given. Multistep reaction; |
With potassium hydroxide 1) DMSO, benzene, reflux, 8 h; 2) RT, 1 d; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83% | With sodium In toluene 1.) reflux, 1 h, 2.) reflux, 1 h; | |
77% | Stage #1: 2-pyrrolidinon With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 2h; Inert atmosphere; Stage #2: ethyl bromoacetate In tetrahydrofuran; mineral oil at 20℃; for 16h; Inert atmosphere; | Ethyl 2-(2-oxopyrrolidin-1-yl)acetate (17) A solution of 2-pyrrolidinone (16, 5.00 g,58.8 mmol) in THF (50 mL) was added dropwise over 20 min to a stirred suspension ofNaH (60% dispersion in oil, 2.81 g, 70.3 mmol, 1.2 equiv) in THF (100 mL) under aninert atmosphere of Ar gas. The residual material in the dropping funnel was then rinsed into the reactionflask using additional THF (20 mL). Stirring was continued at room temperature for a further 2 h. Ethyl 2-bromoacetate (11.70 g, 70.1 mmol, 1.2 equiv) in THF (50 mL) was then added dropwise to the opaquewhite emulsion, and the reaction mixture was stirred under Ar at room temperature for 16 h. Water (100mL) was then cautiously added to the mixture until bubbling ceased and all solids dissolved. The mixturewas then extracted into EtOAc (100 mL). The organic phase was separated and the aqueous phase was reextractedwith EtOAc (2 × 50 mL). The combined organic phases were washed with brine (100 mL) anddried over anhydrous Na2SO4. The solvent was filtered and evaporated to give a crude yellow oil, whichwas purified using column chromatography (EtOAc) to afford lactam 17 (7.76 g, 77%) as a colorless oil;1H NMR (300 MHz, CDCl3): δ = 4.12 (q, J = 7.1 Hz, 2H), 3.99 (s, 2H), 3.42 (t, J = 7.0 Hz, 2H), 2.36 (t, J= 8.1 Hz, 2H), 2.02 (quintet, J = 7.6 Hz, 2H), 1.23 (t, J = 7.2 Hz, 3H); 13C NMR (75 MHz, CDCl3): δ =175.7, 168.7, 61.3, 47.8, 44.2, 30.4, 18.0, 14.2; IR (ATR): ν = 2982 (w), 2938 (w), 1742 (m), 1679 (s), 1289(m), 1190 (s), 1023 (m) cm-1; HRMS (EI): m/z calcd for C6H11NO3+: 171.0890 [M]+; found: 171.0889. |
With tetrabutylammomium bromide; sodium hydride 1.) toluene, reflux, 1 h, 2.) RT, 16 h; Yield given. Multistep reaction; |
With sodium hydride 1.) THF, 2.) THF, reflux, 16 h; Yield given. Multistep reaction; | ||
With sodium hydride 1.) anhydrous benzene, reflux, 16 h, 2.) anhydrous benzene, reflux, 6 h; Yield given. Multistep reaction; | ||
Stage #1: 2-pyrrolidinon With potassium <i>tert</i>-butylate In toluene at 60℃; Stage #2: ethyl bromoacetate In toluene at 20℃; | ||
Stage #1: 2-pyrrolidinon With sodium hydride In N,N-dimethyl-formamide Stage #2: ethyl bromoacetate In N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | In isopropyl alcohol for 10h; Heating; | |
20 EXAMPLE 20 EXAMPLE 20 From 8.5 g. of ethyl 2-oxo-1-pyrrolidineacetate and 10.2 g. of 3-(4-methyl-1-piperazinyl)propylamine ›J.A.C.S. 82, 2386[(1960)], following the procedure of Example 9, there is obtained N-[3-(4-methyl-1-piperazinyl)propyl]-2-oxo-1-pyrrolidineacetamide; m.p. 93° C. after recrystallization from cyclohexane. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | at 155 - 165℃; for 3.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97% | With sodium In toluene for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | at 100℃; for 16h; | |
5 EXAMPLE 5 EXAMPLE 5 From 17.1 g. of ethyl 2-oxo-1-pyrrolidineacetate and 21 g. of 2-(diisopropylamino)ethylamine ›J.A.C.S. 78, 486[(1956)], following the procedure of Example 1, there is obtained N-[2-[bis(1-methylethyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide; b.p. 164° C./0.15 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54% | at 100℃; for 16h; | |
8 EXAMPLE 8 EXAMPLE 8 From 8.5 g. of ethyl 2-oxo-1-pyrrolidineacetate and 12.9 g. of 2-(diisobutylamino)ethylamine (British Pat. No. 614,164), following the procedure of Example 1, there is obtained N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide; b.p. 155°-160° C./0.1 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | at 100℃; for 16h; | |
19 EXAMPLE 19 EXAMPLE 19 From 8.5 g. of ethyl 2-oxo-1-pyrrolidineacetate and 14 g. of 3-(2,2,4,6-tetramethyl-1-piperidinyl)propylamine (U.S. Pat. No. 3,446,811), following the procedure of Example 9, there is obtained N-[3-(2,2,4,6-tetramethyl-1-piperidinyl)propyl]-2-oxo-1-pyrrolidineacetamide; m.p. 85°-87° C. after recrystallization from ethyl ether. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
53% | at 100℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | at 100℃; for 16h; | |
23 EXAMPLE 23 EXAMPLE 23 From 8.5 g. of ethyl 2-oxo-1-pyrrolidineacetate and 8.8 g. of 2-(dimethylamino)ethylamine, following the procedure of Example 1, there is obtained N-[2-(dimethylamino)ethyl]-2-oxo-1-pyrrolidineacetamide; b.p. 146°-147° C./0.1 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | at 100℃; for 16h; | |
2 EXAMPLE 2 EXAMPLE 2 From 12.8 g. of ethyl 2-oxo-1-pyrrolidineacetate and 15.3 g. of 3-(dimethylamino)propylamine (U.S. Pat. No. 2,459,080), following the procedure of Example 1, there is obtained N-[3-(dimethylamino)propyl]-2-oxo-1-pyrrolidineacetamide; b.p. 157°-159° C./0.15 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | at 100℃; for 16h; | |
49% | at 150℃; for 3.5h; | |
3 EXAMPLE 3 EXAMPLE 3 From 12.8 g. of ethyl 2-oxo-1-pyrrolidineacetate and 17.4 g. of 2-(diethylamino)ethylamine ›J.A.C.S. 68, 2006[(1946)], following the procedure of Example 1, there is obtained N-[2-(diethylamino)ethyl]-2-oxo-1-pyrrolidineacetamide; b.p. 157° C./0.1 mm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
38% | With sodium hydride at 100 - 140℃; for 8h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With hydrazine hydrate In isopropyl alcohol | |
With hydrazine hydrate In ethanol at 100℃; Inert atmosphere; | 2.2 STEP 2: A solution of ethyl 2-(2-oxopyrrolidin-1-yl)acetate (9 g) and hydrazinemonohydrate (5.26 g) in EtCH (90 mL) was heated to 100 °C and stirred overnight under N2. After cooling down to room temperature, the solvents were removed by evaporationunder reduced pressure to give the crude product, which was used in the next step without further purification (c.a. 8 g, LC/MS (ESI): mlz (M+1) = 158.12, yield = 96%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70.9% | With dimethylmonochlorosilane; tin(IV) chloride In dichloromethane for 2h; Heating; | |
Multi-step reaction with 2 steps 1: 84 percent / acetyl bromide / Heating 2: 43 percent / ethylmagnesium bromide / diethyl ether / 0.5 h / -40 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogen In ethyl acetate for 18h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogen Yield given; | ||
Multi-step reaction with 2 steps 1: 58.8 g / HCl, H2O (cat. quantity) / acetic acid / 16 h / 40 °C 2: H2 / 5percent Ru/C / 23 h / 18751.5 Torr |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | With ethylmagnesium bromide In diethyl ether at -40℃; for 0.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: CH2Cl2 / 6 h 2: 1) NaOMe / 1) MeOH, 0 deg C, 3 h; 2) MeOH, heating, 2 h 3: 73 percent / H2 / Raney nickel / ethanol / 4 h / 2327.2 Torr |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In methanol | 25 2-Isopropyl-1-[2-(2-oxo-1-pyrrolidineacetamido)acetyl]4-imidazolidinone EXAMPLE 25 2-Isopropyl-1-[2-(2-oxo-1-pyrrolidineacetamido)acetyl]4-imidazolidinone A mixture of ethyl 2-oxo-1-pyrrolidineacetate (7 g) and 1-(2-aminoacetyl)-2-isopropyl-4-imidazolidinone (4 g) was heated at 110° C. for 8 hours. After cooling the oily residue was chromatographed on a silica gel column (eluant dichloromethane/methanol 9:1). The selected fractions were collected, evaporated under vacuum and the residue was triturated with diisopropyl ether to yield 2.6 g of the title compound, m.p. 104°-106° C. Mass spectrum (E.I., 70 eV, 1.5 mA), m/z=310 (M.+), 267 (M.+ --C3 H7). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In methanol; water | 2 1,6-Bis-(2-oxo-1-pyrrolidineacetamido)-hexane EXAMPLE 2 1,6-Bis-(2-oxo-1-pyrrolidineacetamido)-hexane 10 g (0.06 mol) of ethyl 2-oxo-1-pyrrolidineacetate and 3.4 g (0.03 mol) of 1,6-diaminohexane are dissolved in 5 ml of absolute methanol and the solution is boiled for 19 hours, moisture being excluded. Ether is added to the solution and the precipitate which separates out is filtered off. The product is purified by chromatography on silica gel from methanol:water (100:25). Melting point: 122° C., yield: 8.2 g (74% of theory). C18 H30 N4 O4 (366.47) calculated: C 58.99%, H 8.25%, N 15.29%; found: C 58.98%, H 8.36%, N 15.18%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In isopropyl alcohol | 1 1,2-Bis-(2-oxo-1-pyrrolidineacetamido)-ethane EXAMPLE 1 1,2-Bis-(2-oxo-1-pyrrolidineacetamido)-ethane 17.1 g (0.1 mol) of ethyl 2-oxo-1-pyrrolidineacetate and 3 g (0.05 mol) of 1,2-ethylenediamine are dissolved in 30 ml of isopropanol and the solution is boiled for 8 hours, moisture being excluded. The precipitate (6.5 g) which separates out on cooling is chromatographed on silica gel from the solvent system methanol/NH4 OH (9:1). Melting point: 212°-213° C., yield: 5.75 g (35% of theory) C14 H22 N4 O4 (310.35) calculated: C 54.18%, H 7.14%, N 18.05%; found: C 54.11%, H 7.01%, N 17.98%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1 EXAMPLE 1 EXAMPLE 1 A mixture of 17.1 g. of ethyl 2-oxo-1-pyrrolidineacetate (U.S. Pat. No. 3,459,738) and 25.4 g. of cis-2-(2,6-dimethyl-1-piperidinyl)ethylamine (U.S. Pat. No. 3,446,811) is heated at 95°-100° C. for 16 hours. The excess cis-2-(2,6-dimethyl-1-piperidinyl)ethylamine is evaporated at reduced pressure and the residue is fractionated. The product, cis-N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-oxo-1-pyrrolidineacetamide, is obtained as an oil, b.p. 178°-183° C./0.15 mm., which crystallizes on standing; m.p. 93°-94.5° C. after two crystallizations from ethyl acetate-pentane. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
14 EXAMPLE 14 EXAMPLE 14 From 7.0 g. of ethyl 2-oxo-1-pyrrolidineacetate and 6.3 g. of 2-(4-methyl-1-piperazinyl)propylamine, following the procedure of Example 9, there is obtained (+-)-N-[2-(4-methyl-1-piperazinyl)propyl]-2-oxo-1-pyrrolidineacetamide; m.p. 84°-85° C. after recrystallization from cyclohexane and from heptane. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10% | With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 16h; | 3008 Example 3008: Preparation o Compound 3008The compound 3008 was prepared by modification of Step 5 of Example3001. To a solution of l-(aminomethyl)~N-(4-(4-(l-(4- chlorophenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)- 1 ,3 ,5-triazin-2- ylamino)phenylsulfonyl)cyclopropanecarboxamide, HCl (30 mg, 0.05 mmol) in DCM (5 mL) solution were added ethyl 2-(2-oxopyrrolidin-l-yl)acetic acid (14 mg, 0.10 mmol), HATU (28 mg, 0.07 mmol) and iPr2NEt (43 ul, 0.25 mmol). The mixture was stirred at room temperature for 16 hs. The solvent was removed under vacuum and the crude product was purified by rev. phase HPLC to give compound 3008 (3.7 mg, 10%) as a white solid. LC-MS (Condition A), MS m/z 737.0 ( + +H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83.2% | With 4-methyl-morpholine In tetrahydrofuran for 16h; Reflux; | 1.2 Second, the synthesis of pyrrolidone ethyl acetate In 500mL dry, clean three neck flask 94.6g amino ethyl acetate (0.5mol), 60.6g (0.6mol) N-methylmorpholine and 400mL of tetrahydrofuran was heated to reflux for 16 hours; when TLC to track amino ethyl ester completion of the reaction, and concentrated in vacuum at 60 to drying, the oil was added 300mL ethyl acetate and 200mL of purified water, stirred aqueous layer was added ethyl acetate twice, each 100mL, the combined organic Layer, adding 30g anhydrous sodium sulfate for 2 hours, filtering and concentrating to dryness at 40-50 DEG C under reduced pressure to obtain a pale yellow oil: ethyl pyrrolidone ethyl acetate, weighing 71.2g, and the molar yield is 83.2%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With acetyl chloride at 20℃; for 22h; Inert atmosphere; | Ethyl 2-(2-Oxopyrrolidin-1-yl)acetate (6) To a solution of 4o (34 mg, 0.11 mmol, 1 equiv) in EtOH (0.3 mL) was added acetyl chloride (44 mg, 0.56 mmol, 5 equiv) and the mixture was stirred at r.t. for 22 h. EtOH was then removed in vacuo and the crude mixture was redissolved in diethyl ether. A solution of HCl in cyclopentylmethyl ether (3 M, 0.2 mL) was then added, precipitating the hydrochloride salt of 2-amino-6-bromopyridine. This byproduct was filtered off and concentration of the filtrate afforded the product. Yield: 14 mg (0.08 mmol, 70%); colorless oil. 1H NMR (500 MHz, CDCl3): δ= 4.17 (q, J= 7.0 Hz, 2 H), 4.03 (s, 2 H),3.47 (t, J= 7.0 Hz, 2 H), 2.41 (t, J= 8.0 Hz, 2 H), 2.06 (quint, J= 7.2 Hz,2 H). 13C NMR (125 MHz, CDCl3): δ= 175.8 (C), 168.8 (C), 61.4 (CH2), 47.8(CH2), 44.2 (CH2), 30.4 (CH2), 18.0 (CH2), 14.2 (CH3) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With Lawessons reagent In toluene at 80℃; for 18h; Inert atmosphere; | Ethyl 2-(2-thioxopyrrolidin-1-yl) acetate (18) Lawesson’s reagent (7.00 g, 17.3 mmol)was added to a solution of ethyl 2-(2-oxopyrrolidin-1-yl)acetate (17, 5.00 g, 29.2 mmol)in toluene (1000 mL). The mixture was stirred at 80 °C under an inert atmosphere of Argas for 18 h, after which time reaction was deemed complete by TLC. The solvent was evaporated in vacuoand the crude residue was adsorbed onto silica gel (ca. 50 g) and purified by flash column chromatography(20-30% EtOAc in hexane) to provide thiolactam 18 (4.70 g, 25 mmol, 86%) as a yellow oil; 1H NMR(500 MHz, CDCl3): δ = 4.56 (s, 1H), 4.23 (q, J = 7.1 Hz, 1H), 3.83 (t, J = 7.3 Hz, 2H), 3.08 (t, J = 7.9 Hz,1H), 2.13 (quintet, J = 7.8 Hz, 1H), 1.29 (t, J = 7.2 Hz, 2H); 13C NMR (75 MHz, CDCl3): δ = 203.9, 167.2,61.7, 55.6, 49.1, 44.4, 19.9, 14.3; IR (ATR): ν = 2979 (w), 2919 (w), 2882 (w), 1738 (s), 1504 (s) 1328(m), 1294 (m), 1224 (m), 1196 (s), 1129 (s), 1021 (s) cm-1; HRMS (EI): m/z calcd for C8H13NO2S+:187.0662 [M]+; found: 187.0672. |
Tags: 61516-73-2 synthesis path| 61516-73-2 SDS| 61516-73-2 COA| 61516-73-2 purity| 61516-73-2 application| 61516-73-2 NMR| 61516-73-2 COA| 61516-73-2 structure
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P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
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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