(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde supplier

Name
(S)-(-)-3-TERT-BUTOXYCARBONYL-4-FORMYL-2,2-DIMETHYL-1,3-OXAZOLIDINE
EINECS
CAS No. 102308-32-7
Article Data6
CAS DataBase
Density 1.129 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₁₁H₁₉NO₄
Boiling Point 302.738 °C at 760 mmHg
Molecular Weight 229.276
Flash Point 136.891 °C
Transport Information
Appearance Clear colorless to yellow oil
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Oxazolidinecarboxylicacid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (S)-;(-)-Garneraldehyde;(4S)-4-Formyl-2,2-dimethyl-3-oxazolidinecarboxylic acid1,1-dimethylethyl ester;(S)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-formyloxazolidine;(S)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester;(S)-Garner aldehyde;Garner's aldehyde;tert-Butyl(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-Butyl (S)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate;3-Oxazolidinecarboxylicacid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-;
PSA 55.84000
LogP 1.49520

(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde Specification

The (S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, with the CAS registry number 102308-32-7, is also known as (S)-3-Boc-4-formyl-2,2-dimethyl-1,3-oxazolidine. It belongs to the product categories of Pharmacetical; Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry. This chemical's molecular formula is C₁₁H₁₉NO₄ and molecular weight is 229.27. What's more, its IUPAC name is tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate. It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas. What's more, it should be protected from strong oxides and air.

Physical properties of (S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.379; (4)ACD/BCF (pH 5.5): 6.583; (5)ACD/KOC (pH 5.5): 134.101; (6)#H bond acceptors: 5; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.84 Å²; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 59.752 cm³; (12)Molar Volume: 202.994 cm³; (13)Surface Tension: 40.672 dyne/cm; (14)Density: 1.129 g/cm³; (15)Flash Point: 136.891 °C; (16)Enthalpy of Vaporization: 54.298 kJ/mol; (17)Boiling Point: 302.738 °C at 760 mmHg; (18)Vapour Pressure: 0.001 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 contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C
(2)Isomeric SMILES: CC1(N([C@@H](CO1)C=O)C(=O)OC(C)(C)C)C
(3)InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m1/s1
(4)InChIKey: PNJXYVJNOCLJLJ-MRVPVSSYSA-N

Product Name

(S)-(-)-3-TERT-BUTOXYCARBONYL-4-FORMYL-2,2-DIMETHYL-1,3-OXAZOLIDINE

(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde Specification

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