-
Name
N-Boc-cis-4-Hydroxy-L-proline methyl ester
- EINECS 627-146-3
- CAS No. 102195-79-9
- Article Data47
- CAS DataBase
- Density 1.216 g/cm3
- Solubility Insoluble in water.
- Melting Point 82-86 °C(lit.)
- Formula C11H19NO5
- Boiling Point 335.244 °C at 760 mmHg
- Molecular Weight 245.276
- Flash Point 156.55 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 22-36/37/38-43
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms N-Boc-Cis-4-Hydroxy-L-proline methyl ester;1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-cis)-;(2S,4S)-1-tert-Butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid methylester;(2S,4S)-4-Hydroxy-2-(methoxycarbonyl)pyrrolidine-1-carboxylic acidtert-butyl ester;Methyl (4S)-N-Boc-4-hydroxy-L-prolinate;
- PSA 76.07000
- LogP 0.46760
N-Boc-cis-4-Hydroxy-L-proline methyl ester Chemical Properties
Systematic Name: 1-tert-Butyl 2-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
Synonyms of N-Boc-cis-4-Hydroxy-L-proline methyl ester (CAS NO.102195-79-9): 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-,1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- ; 1-tert-Butyl 2-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CAS NO: 102195-79-9
Molecular Formula: C11H19NO5
Molecular Weight: 245.27
Molecular Structure: 
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 76.07 Å2
Index of Refraction: 1.501
Molar Refractivity: 59.369 cm3
Molar Volume: 201.559 cm3
Surface Tension: 46.948 dyne/cm
Density: 1.217 g/cm3
Flash Point: 156.55 °C
Enthalpy of Vaporization: 66.998 kJ/mol
Boiling Point: 335.244 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)OC)C[C@H](O)C1
InChI: InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey: MZMNEDXVUJLQAF-YUMQZZPRBE
Std. InChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
Std. InChIKey: MZMNEDXVUJLQAF-YUMQZZPRSA-N
Product Categories of N-Boc-cis-4-Hydroxy-L-proline methyl ester (CAS NO.102195-79-9): Peptide Synthesis;Proline Derivatives;Unnatural Amino Acid Derivatives
N-Boc-cis-4-Hydroxy-L-proline methyl ester Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38-43
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R43: May cause sensitization by skin contact.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 2
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