N-Boc-4-Oxo-L-proline methyl ester supplier

Name
BOC-4-OXO-PRO-OME
EINECS 625-165-1
CAS No. 102195-80-2
Article Data13
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 35-40 °C
Formula C₁₁H₁₇NO₅
Boiling Point 333.149 °C at 760 mmHg
Molecular Weight 243.26
Flash Point 155.283 °C
Transport Information
Appearance
Safety 26-36/37-39
Risk Codes 20/21/22-41
Molecular Structure
Hazard Symbols Xn
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;(2S)-4-Oxo-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid methyl ester;1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;tert-Butyl(2S)-2-(methoxycarbonyl)-4-oxopyrrolidine-1-carboxylate;Boc-4-oxo-Pro-OMe;
PSA 72.91000
LogP 0.67580

N-Boc-4-Oxo-L-proline methyl ester Specification

The N-Boc-4-Oxo-L-proline methyl ester , with cas registry number of 102195-80-2, is also called (S)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate . Its IUPAC name is called 1-O-tert-butyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate . And its systematic name is called 1-tert-butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate . It belongs to categories of Amino Acids; Boc-Amino Acids and Derivative; Boc-Amino acid series.

Physical properties of N-Boc-4-Oxo-L-proline methyl ester are: (1) ACD/LogP: 0.50 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0 ; (4) ACD/LogD (pH 7.4): 0 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 25 ; (8) ACD/KOC (pH 7.4): 25 ; (9) #H bond acceptors: 6 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Index of Refraction: 1.488 ; (13) Molar Refractivity: 57.909 cm³ ; (14) Molar Volume: 201.069 cm³ ; (15) Surface Tension: 43.98 dyne/cm ; (16) Density: 1.21 g/cm³ ; (17) Flash Point: 155.283 °C ; (18) Enthalpy of Vaporization: 57.598 kJ/mol ; (19) Boiling Point: 333.149 °C at 760 mmHg ; (20) Alpha: 14 ^o(C=1 IN chloroform).

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has the risk of serious damage to the eyes.When use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)OC;
(2) InChI:InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m0/s1;
(3) InChIKey:UPBHYYJZVWZCOZ-QMMMGPOBBK

Product Name

BOC-4-OXO-PRO-OME

N-Boc-4-Oxo-L-proline methyl ester Specification

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