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| CAS No.: | 15761-39-4 |
|---|---|
| Name: | BOC-L-Proline |
| Molecular Structure: | |
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|
|
| Formula: | C10H17NO4 |
| Molecular Weight: | 215.249 |
| Synonyms: | Boc-Pro-OH;(2S)-1,2-Pyrrolidinedicarboxylic acid1-(1,1-dimethylethyl) ester;(S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinecarboxylicacid;1-(tert-Butoxycarbonyl)-(S)-proline;1-tert-Butyloxycarbonyl-L-proline;L-N-Boc-proline;N-(tert-Butoxycarbonyl)-L-proline;N-(tert-Butyloxycarbonyl)-L-proline;N-[(1,1-Dimethylethoxy)carbonyl]-(S)-proline;Boc-L-Proline; |
| EINECS: | 239-848-3 |
| Density: | 1.201 g/cm3 |
| Melting Point: | 133-135 °C(lit.) |
| Boiling Point: | 337.2 °C at 760 mmHg |
| Flash Point: | 157.7 °C |
| Appearance: | White to off-white microcrystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 66.84000 |
| LogP: | 1.40840 |
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- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 19h; Cooling with ice; | 100% |
| With amberlyst-15 In ethanol at 20℃; for 0.0833333h; chemoselective reaction; | 100% |
| With sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; for 16h; | 100% |
- 110345-80-7
1-(tert-butyl) 2-(2-oxo-2-phenylethyl) (S)-pyrrolidine-1,2-dicarboxylate
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 2h; Irradiation; | 100% |
| With ammonium formate; palladium on activated charcoal In methanol at 20℃; for 0.166667h; Hydrogenolysis; | 95% |
| With magnesium; acetic acid In methanol; N,N-dimethyl-formamide at 20℃; for 75h; |
- 89037-64-9
1-tert-butoxycarbonyloxybenzotriazole
- 147-85-3
L-proline
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With triethylamine In 1,4-dioxane; water for 0.166667h; Ambient temperature; | 99% |
- 89985-91-1
tert-butyl pyridin-2-yl carbonate
- 147-85-3
L-proline
A
- 142-08-5
2-hydroxypyridin
B
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With triethylamine In water; N,N-dimethyl-formamide for 6h; Ambient temperature; | A n/a B 98% |
- 59936-29-7
(S)-N-(tert-butoxycarbonyl)proline methyl ester
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| Stage #1: (S)-N-(tert-butoxycarbonyl)proline methyl ester With sodium hydroxide In methanol; water for 5h; Reflux; Stage #2: With hydrogenchloride In water pH=3; | 98% |
| With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; | 97% |
| With lithium hydroxide In tetrahydrofuran; methanol | |
| With lithium hydroxide In 1,4-dioxane |
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 1h; Irradiation; | 97% |
- 89985-91-1
tert-butyl pyridin-2-yl carbonate
- 147-85-3
L-proline
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With triethylamine In water; N,N-dimethyl-formamide for 6h; Ambient temperature; method for mild t-butoxycarbonylation of amino acids; | 96% |
- 147-85-3
L-proline
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With triethylamine In water; N,N-dimethyl-formamide for 6h; Ambient temperature; | 96% |
| Multi-step reaction with 3 steps 1: thionyl chloride / 4 h / 0 - 20 °C 2: triethylamine / tetrahydrofuran / 5 h / 0 - 20 °C 3: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C View Scheme |
- 147-85-3
L-proline
- 250296-58-3
N-tert-Butoxycarbonyl-N-trifluoromethylsulfonyl-4-trifluoromethylanilide
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With water; triethylamine In 1,4-dioxane at 20℃; for 24h; Acylation; | 96% |
- 105678-24-8
O-(tert-butyl) S-(pyridin-2-yl)carbonothioate
- 147-85-3
L-proline
A
- 2637-34-5
2-Mercaptopyridine
B
- 15761-39-4
1-(tert-butoxycarbonyl)-L-proline
| Conditions | Yield |
|---|---|
| With triethylamine In water; N,N-dimethyl-formamide for 4h; Ambient temperature; | A n/a B 95% |
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Specification
The Boc-L-Proline, with the CAS registry number 15761-39-4,is also known as N-(tert-Butoxycarbonyl)-L-proline; (S)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester. It belongs to the product categories of Biochemistry;Boc-Amino Acids;Boc-Amino acid series. This chemical's molecular formula is C10H17NO4 and molecular weight is 215.25.Its EINECS number is 239-848-3. What's more,Its systematic name is 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester,(2S)-. It is a White to off-white microcrystalline powder.The Boc-L-Proline is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin .When you use it ,you should avoid contact with skin and eyes ,and wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .It is an unnatural amino acid for peptidomimetics and biological research.
Physical properties about Boc-L-Proline are:
(1)ACD/LogP: 1.233; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -2.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.52; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 52.935 cm3; (14)Molar Volume: 179.209 cm3; (15)Surface Tension: 47.0009994506836 dyne/cm; (16)Density: 1.201 g/cm3; (17)Flash Point: 157.722 °C; (18)Enthalpy of Vaporization: 63.79 kJ/mol; (19)Boiling Point: 337.181 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(C)(C)C)N1[C@H](C(=O)O)CCC1;
(2)Std. InChI:InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1;
(3)Std. InChIKey:ZQEBQGAAWMOMAI-ZETCQYMHSA-N.