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Cas Database |
| Name |
L-Proline, 3-hydroxy-,(3S)- |
EINECS | N/A |
| CAS No. | 4298-08-2 | Density | 1.395g/cm3 |
| PSA | 69.56000 | LogP | -0.87740 |
| Solubility | N/A | Melting Point |
235oC |
| Formula | C5H9NO3 | Boiling Point | 355.233 °C at 760 mmHg |
| Molecular Weight | 131.131 | Flash Point | 168.639 °C |
| Transport Information | N/A | Appearance | White to light beige powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
L-Proline,3-hydroxy-, trans-;Proline, 3-hydroxy-, L-trans- (8CI);(2S,3S)-(-)-3-Hydroxy-L-proline;(2S,3S)-3-Hydroxyproline;trans-3-Hydroxy-L-proline;trans-3-Hydroxyproline; |
Article Data | 34 |
L-Proline, 3-hydroxy-,(3S)- Synthetic route
- 312583-31-6
(2S,3S)-N-benzyl-2-hydroxyproline
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol at 20℃; for 13h; | 98% |
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 20℃; for 16h; | 89% |
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol; water Ambient temperature; | 88% |
- 120789-99-3
Potassium; (2S,3S)-2-amino-3-hydroxy-5,5-dimethoxy-pentanoate
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With hydrogen; trifluoroacetic acid; platinum(IV) oxide In ethanol; water for 15h; Ambient temperature; | 87% |
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 20℃; for 16h; | 87% |
- 156045-82-8
(2S,3S)-1-(tert-butoxycarbonyl)-3-(tert-butyldimethylsiloxy)pyrrolidine-2-carboxylic acid
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol for 3h; Inert atmosphere; Reflux; | 80% |
| With hydrogenchloride for 3h; Heating; | 70% |
A
- 6208-98-6
threo-β-hydroxy-L-glutamic acid (threo-L-BHGA)
B
- 928-17-6, 2398-34-7, 83780-74-9, 20595-04-4
(R)-β-hydroxypalmitic acid
C
- 4298-08-2
trans-3-hydroxy-L-proline
D
- 51-35-4
4R-4-hydroxyproline
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 110℃; for 16h; | A 14.7 mg B 19 mg C 14.2 mg D 15.6 mg |
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| With Dowex 50W-X8; water In tetrahydrofuran Heating; | 0.14 g |
| Conditions | Yield |
|---|---|
| With α-ketoglutaric acid; iron(II) sulfate; ascorbic acid; Aeromonas caviae In water at 25℃; for 24h; pH=7; Enzymatic reaction; |
- 4298-08-2
trans-3-hydroxy-L-proline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 83 percent / aq. hydrochloric acid / 8 h / 45 - 50 °C 2: 98 percent / H2 / Pd-C / methanol / 13 h / 20 °C View Scheme |
L-Proline, 3-hydroxy-,(3S)- Specification
The L-Proline, 3-hydroxy-,(3S)-, with CAS registry number 4298-08-2, belongs to the following product category: Pyrrolidine series. It has the systematic name of (3S)-3-hydroxy-D-proline. Besides this, it is also called Trans-3-hydroxy-l-proline. This chemical is a kind of white to light beige powder. When use it, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C5H9NO3.
Physical properties of L-Proline, 3-hydroxy-,(3S)-: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.56 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 29.493 cm3; (15)Molar Volume: 93.985 cm3; (16)Polarizability: 11.692×10-24cm3; (17)Surface Tension: 62.248 dyne/cm; (18)Density: 1.395 g/cm3; (19)Flash Point: 168.639 °C; (20)Enthalpy of Vaporization: 69.507 kJ/mol; (21)Boiling Point: 355.233 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1NCC[C@@H]1O
(2)InChI: InChI=1/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
(3)InChIKey: BJBUEDPLEOHJGE-IUYQGCFVBS
(4)Std. InChI: InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
(5)Std. InChIKey: BJBUEDPLEOHJGE-IUYQGCFVSA-N
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