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| CAS No.: | 4042-36-8 |
|---|---|
| Name: | D-Pyroglutamic acid |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C5H7NO3 |
| Molecular Weight: | 129.115 |
| Synonyms: | (2R)-5-oxopyrrolidine-2-carboxylic acid;D-5-Pyrrolidone-2-carboxylic acid;5-oxo-D-proline;CPD-656;H-D-Pyr-OH;(R)-(+)-2-pyrrolidone-5-carboxylic acid;D- pGlu-OH; |
| EINECS: | 223-735-0 |
| Density: | 1.38 g/cm3 |
| Melting Point: | 155-162 °C |
| Boiling Point: | 453.1 °C at 760 mmHg |
| Flash Point: | 227.8 °C |
| Solubility: | Soluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 66.40000 |
| LogP: | -0.32160 |
(R)-5-hydroxymethylpyrrolidin-2-one
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydrogencarbonate; platinum In water for 4h; Ambient temperature; | 95% |
tert-butyl (4R,4'R,5'S)-4-amino-5-(3',4'-dimethyl-2'-oxo-5'-phenyl-1'-imidazolydinyl)-5-oxopentanoate
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With water In 1,4-dioxane for 12h; Hydrolysis; cyclization; Heating; | 45% |
| Conditions | Yield |
|---|---|
| With water for 63h; Heating; | |
| In water for 72h; Heating; | |
| With D-glutamate cyclase from mouse In methanol at 37℃; for 1h; pH=8; Kinetics; Enzymatic reaction; | |
| With sodium hydroxide In ethanol; water at 20℃; for 48h; | |
| With DL-dithiothreitol; D-glutamate cyclase; manganese(ll) chloride In aq. buffer at 37℃; for 1h; pH=8; Kinetics; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| In water at 140℃; Rate constant; pH 8.0; |
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With barium dihydroxide; water |
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With Quinine |
ethyl (R)-2-pyrrolidone-5-carboxylate
A
ethanol
B
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics; |
methyl (2R)-pyroglutamate
D-pyrrolidone-5-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 78 percent / NaBH4 / ethanol / 2 h / Ambient temperature 2: 95 percent / NaHCO3, O2 / Pt / H2O / 4 h / Ambient temperature View Scheme |
| Conditions | Yield |
|---|---|
| With Ν,Ν-dimethyldehydroabietylamine In chloroform-d1 at 27℃; Resolution of racemate; |
ethanol
D-pyrrolidone-5-carboxylic acid
ethyl (R)-2-pyrrolidone-5-carboxylate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 20℃; | 100% |
| With thionyl chloride at 80℃; for 1.5h; | 94% |
| sulfuric acid Reflux; |
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The IUPAC name of D-Pyroglutamic acid is (2S)-5-oxopyrrolidine-2-carboxylic acid . With the CAS registry number 4042-36-8, it is also named as 5-Oxo-D-proline ; D-5-Pyrrolidone-2-carboxylic acid ; (R)-(+)-2-Pyrrolidone-5-carboxylic acid . The product's categories are amino acids and derivatives, heterocycles, pharmacetical, chiral, biochemistry, optical resolution, synthetic organic chemistry and chiral reagents.
The D-Pyroglutamic acid is white to light yellow crystal powder which should be stores at the temperature of 0-5°C. It serves as a building block in the synthesis of diphthamide. It is used as pharmaceutical intermediates. This product is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.91 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -3 ; (4)ACD/LogD (pH 7.4): -5 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.551 ; (13)Molar Refractivity: 28.251 cm3 ; (14)Molar Volume: 88.526 cm3 ; (15)Polarizability: 11.2×10-24 cm3 ; (16)Surface Tension: 68.09 dyne/cm ; (17)Enthalpy of Vaporization: 55.943 kJ/mol ; (18)Vapour Pressure: 0.002 mmHg at 25°C ; (19)Rotatable Bond Count: 1 ; (20)Tautomer Count: 3 ; (21)Exact Mass: 129.042593 ; (22)MonoIsotopic Mass: 129.042593 ; (23)Topological Polar Surface Area: 66.4 ; (24)Heavy Atom Count: 9.
People can use the following data to convert to the molecule structure. SMILES: O=C1N(C(=O)O)CCC1; InChI: InChI=1/C5H7NO3/c7-4-2-1-3-6(4)5(8)9/h1-3H2,(H,8,9); InChIKey: DQAKJEWZWDQURW-UHFFFAOYAE. D-Pyroglutamic acid has many suppliers, such as AmiA Biochemical Industrial Co., Ltd., Changzhou Banghe Aminophenol Technology Co., Ltd., Chengdu Unibiochem Co., Ltd. and Hitrox Bioscience Co., Ltd..
