3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- supplier

Name
METHYL (R)-(+)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYL-4-OXAZOLIDINECARBOXYLATE
EINECS
CAS No. 95715-86-9
Article Data79
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₅
Boiling Point 309.7 °C at 760mmHg
Molecular Weight 259.302
Flash Point 141.1 °C
Transport Information
Appearance liquid
Safety 26-36/37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 65.07000
LogP 1.46930

3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- 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

Product Name

METHYL (R)-(+)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYL-4-OXAZOLIDINECARBOXYLATE

3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- Specification

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