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| CAS No.: | 33996-33-7 |
|---|---|
| Name: | Oxaceprol |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C7H11NO4 |
| Molecular Weight: | 173.169 |
| Synonyms: | L-Proline,1-acetyl-4-hydroxy-, trans-;Proline, 1-acetyl-4-hydroxy-, L- (7CI,8CI);(R)-N-Acetyl-4-hydroxy-L-proline;AHP 200;CO 61;Jonctum;N-Acetyl-4-hydroxy-L-proline;N-Acetyl-trans-4-hydroxy-L-proline;N-Acetylhydroxyproline;Oxaceprol;trans-N-Acetyl-4-hydroxy-L-proline;L-Proline,1-acetyl-4-hydroxy-, (4R)-; |
| EINECS: | 251-780-6 |
| Density: | 1.439 g/cm3 |
| Melting Point: | 132-133 °C (dec.)(lit.) |
| Boiling Point: | 442.1 °C at 760 mmHg |
| Flash Point: | 221.2 °C |
| Appearance: | White fine crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-36 |
| PSA: | 77.84000 |
| LogP: | -1.00940 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| In water at 40 - 50℃; for 3h; | 70% |
| With acetic acid | |
| In dichloromethane |
- 43176-83-6
(2S,4R)-N-acetyl-4-benzoyloxy-proline
- 33996-33-7
oxaceprol
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 51-35-4
4R-4-hydroxyproline
- 33996-33-7
oxaceprol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous NaOH / 0 °C / anschliessend Behandeln mit Benzoylchlorid 2: aqueous NaOH View Scheme |
| Conditions | Yield |
|---|---|
| With acetyl chloride Reflux; | 99% |
- 33996-33-7
oxaceprol
- 72485-25-7
(1S,4S)-5-acetyl-2-oxa-5-azabicyclo<2.2.1>heptan-3-one
| Conditions | Yield |
|---|---|
| 90% | |
| With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran Ambient temperature; | 70% |
- 18162-48-6
tert-butyldimethylsilyl chloride
- 33996-33-7
oxaceprol
- 130680-40-9
(4R)-1-Acetyl-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-L-proline
| Conditions | Yield |
|---|---|
| Stage #1: tert-butyldimethylsilyl chloride; oxaceprol With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 1.5h; Stage #3: With hydrogenchloride In tetrahydrofuran; methanol; water pH=3; | 84% |
| Stage #1: tert-butyldimethylsilyl chloride; oxaceprol With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 10℃; for 1h; Stage #2: With water In acetonitrile for 0.416667h; |
- 33996-33-7
oxaceprol
- 444313-67-1
(1R,4R)-5-acetyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
| Conditions | Yield |
|---|---|
| With acetic anhydride at 90℃; for 7h; | 82% |
| With acetic anhydride at 20 - 90℃; for 71h; Inert atmosphere; | 45% |
| Conditions | Yield |
|---|---|
| With pyridine for 2h; Ambient temperature; | 75% |
- 67-56-1
methanol
- 33996-33-7
oxaceprol
- 67943-19-5
methyl (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylate
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere; | 66% |
| With thionyl chloride at 0℃; Reflux; | 29% |
| Conditions | Yield |
|---|---|
| With tris(2,2,2-trifluoroethyl) borate at 100℃; under 760.051 Torr; for 5h; | 50% |
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Specification
1. Introduction of N-Acetyl-L-hydroxyproline
N-Acetyl-L-hydroxyproline, with the IUPAC name of (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid, is one kind of powder. The product's categories are Pyrrole; API Intermediates; Amino Acids; Hydroxyproline [Hyp]; Peptide Synthesis; Proline Derivatives; Unnatural Amino Acid Derivatives. It is white crystalline powder which is soluble in water. And AC-HYP-OH is an anti-inflammatory drug used in the treatment of osteoarthritis. Additionally, it should be sealed in the container and stored at the normal temperature.
2. Properties of N-Acetyl-L-hydroxyproline
The other characteristics of AC-HYP-OH can be summarized as: (1)ACD/LogP: -2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.33; (4)ACD/LogD (pH 7.4): -5.66; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 38.91 cm3; (14)Molar Volume: 120.2 cm3; (15)Polarizability: 15.42×10-24 cm3; (16)Surface Tension: 69.6 dyne/cm; (17)Enthalpy of Vaporization: 80.74 kJ/mol; (18)Vapour Pressure: 1.13E-09 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 173.068808; (21)MonoIsotopic Mass: 173.068808; (22)Topological Polar Surface Area: 77.8; (23)Heavy Atom Count: 12; (24)Complexity: 216.
3. Structure Descriptors of N-Acetyl-L-hydroxyproline
You could convert the following datas into the molecular structure:
1. SMILES:O=C(N1[C@H](C(=O)O)C[C@@H](O)C1)C
2. InChI:InChI=1/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1
3. InChIKey:BAPRUDZDYCKSOQ-RITPCOANBI
4. Safety Information of N-Acetyl-L-hydroxyproline
Hazard Codes: Xi
Risk Statements: 41
Safety Statements: 26-36
WGK Germany: 3
F: 10
When you are using this chemical, please be cautious about it as the following:
It may cause serious damage to the eyes. 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 protective clothing.