L-Proline, phenylmethyl ester, hydrochloride (1:1)
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L-Proline, phenylmethyl ester, hydrochloride (1:1)
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CAS No:
16652-71-4
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Formula:
C12H15NO2.ClH
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Chemical Name:
L-Proline, phenylmethyl ester, hydrochloride (1:1)
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Synonyms:
L-Proline,phenylmethyl ester,hydrochloride (1:1);Proline,benzyl ester,hydrochloride,L-;L-Proline,phenylmethyl ester,hydrochloride;Benzyl L-prolinate hydrochloride;Benzyl (-)-L-prolinate hydrochloride;L-Proline benzyl ester hydrochloride;L-Proline benzyl ester monohydrochloride;(S)-Proline benzyl ester hydrochloride;Proline phenylmethyl ester hydrochloride;Benzyl prolinate hydrochloride;NSC 197199;NSC 71043;(S)-Pyrrolidine-2-carboxylic acid benzyl ester hydrochloride;(S)-Benzyl pyrrolidine-2-carboxylate hydrochloride;84677-37-2
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CAS No:
L-Proline, phenylmethyl ester, hydrochloride (1:1) Basic Attributes
241.71
241.086960
3598081
240-700-5
29339900
Characteristics
38.3
2.61260
White to pale yellow Crystalline Powder
1.121g/cm3
143-144 °C
309ºC at 760 mmHg
140.7ºC
1.4365
miscible
Store at RT.
0.000659mmHg at 25°C
-44 º (c=1, methanol)
Safety Information
NONH for all modes of transport
3
36/38-36/37/38-22
22-24/25-37/39-26-36/37/39
Xi,Xn
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
L-Proline, phenylmethyl ester, hydrochloride (1:1) Use and Manufacturing
Benzyl alcohol (70 mL, 651 mmol) was cooled to 0 °C under nitrogen and 7.0 mL thionyl chloride (91.2 mmol) was added. l-Proline (5.0 g, 43.4 mmol) was then added and the mixture was stirred at 0 °C under nitrogen for 2 h. Will 11 · 5g (0 · lmol) valine, 30ml of dichloroethane and 16.2g (0.1mol) of FeCl3 were put into a 250ml three-necked flask, Hydrogen chloride gas is fed at a rate of 1.25 ml/s (hydrogen chloride gas is always fed at this rate for a reaction time of 0.5 h).Reaction at room temperature for 0.5 h. Pass into HC1 total 2250ml, molar amount 0. lmolThen, 11.66 g (0.108 mol) of benzyl alcohol (proline: benzyl alcohol = 1:1.08) was put into a three-necked flask, and hydrogen chloride was introduced at 0.05 ml/s (hydrogen chloride gas was always fed at this rate for a reaction time of 3 h). , Under reflux conditions, distill off the aqueous dichloroethane (ie, the mixture distilled out during azeotropic distillation), and add anhydrous dichloroethane to the reaction system at the same rate to maintain The amount of dichloroethane in the reaction was essentially constant, and the reaction was completed in 3 hours. A total of 120 mL of azeotrope (ie, mixed liquor, ie, aqueous dichloroethane) was distilled out, and HC1 540 mL (0.024 mol) was introduced in total.The reaction solution was filtered while hot to obtain a filter residue containing a catalyst (Note: The 'heat filtration reaction liquid' is for the purpose of removing the metal chloride as a catalyst, which can be used in the subsequent step 2).0032] After the filtered reaction solution was cooled to room temperature, the remaining dichloroethane solvent was removed by vacuum distillation (lOmmHg pressure, 40°C temperature), recrystallized at -10°C, and the precipitated solid was cooled with 20 ml of The solution was washed with iced dichloroethane at 0° C., filtered (retain filtrate), and the filter cake was dried at 40° C. for 5 h to obtain 18.20 g of proline benzyl ester hydrochloride. The yield was 75.3percent.[0033] 120ml of the mixed liquor having been distilled out during the water-retention process is obtained, and after dehydration treatment (water is removed with anhydrous sodium sulfate and 5g of anhydrous sodium sulfate is added per 100ml of dichloromethane), anhydrous dichloroethane (118mL) is obtained. Recycle in step 2.The retained filtrate was rotary evaporated (pressure of 10 mmHg, temperature of 40° C.) to 20 ml as a mother liquor for the next cycle (BP, as a raw material, fed into Step 2)..3percent.See also3/4The compound (70. Og, 0.23 mol) obtained in
Widely used in peptide chemistry and as a chiral auxiliary in asymmetric Diels-Alder reaction
Computed Properties
Molecular Weight:241.71
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:241.0869564
Monoisotopic Mass:241.0869564
Topological Polar Surface Area:38.3
Heavy Atom Count:16
Complexity:212
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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