CAS No.95715-86-9,METHYL (R)-(+)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYL-4-OXAZOLIDINECARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	95715-86-9
Name:	METHYL (R)-(+)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYL-4-OXAZOLIDINECARBOXYLATE
Article Data:	79

Formula:	C₁₂H₂₁NO₅
Molecular Weight:	259.302
Synonyms:	3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (R)-;(R)-2,2-Dimethyloxazolidine-3,4-dicarboxylic acid 3-tert-butyl ester 4-methylester;(R)-Methyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate;Methyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate;
Density:	1.107 g/cm³
Boiling Point:	309.7 °C at 760mmHg
Flash Point:	141.1 °C
Appearance:	liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-36
PSA:	65.07000
LogP:	1.46930

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Specification

The systematic name of 3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- is 3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate. With the CAS registry number 95715-86-9, it is also named as Methyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate. It is liquid which is stable. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- can be summarized as: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.07 ?2; (7)Index of Refraction: 1.459; (8)Molar Refractivity: 64.09 cm³; (9)Molar Volume: 234 cm³; (10)Polarizability: 25.4×10^-24 cm³; (11)Surface Tension: 35 dyne/cm; (12)Density: 1.107 g/cm³; (13)Flash Point: 141.1 °C; (14)Enthalpy of Vaporization: 55.05 kJ/mol; (15)Boiling Point: 309.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000629 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)[C@@H]1N(C(=O)OC(C)(C)C)C(OC1)(C)C
2. InChI:InChI=1/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m1/s1
3. InChIKey:ZNBUXTFASGDVCL-MRVPVSSYBL
4. Std. InChI:InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m1/s1
5. Std. InChIKey:ZNBUXTFASGDVCL-MRVPVSSYSA-N