CAS No.102195-80-2,BOC-4-OXO-PRO-OME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102195-80-2
Name:	BOC-4-OXO-PRO-OME
Article Data:	13

Formula:	C₁₁H₁₇NO₅
Molecular Weight:	243.26
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;
EINECS:	625-165-1
Density:	1.21 g/cm³
Melting Point:	35-40 °C
Boiling Point:	333.149 °C at 760 mmHg
Flash Point:	155.283 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-41
Safety:	26-36/37-39
PSA:	72.91000
LogP:	0.67580

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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