650897

(4S,4′S)-(−)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline)

97%

• Synonym(s): (4S,4′S)-(−)-2,2′-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole), [S-(R*,R*)]-(−)-2,2′-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole)
• Empirical Formula (Hill Notation): C₁₇H₃₀N₂O₂
• CAS Number: 160191-65-1
• Molecular Weight: 294.43
• MDL number: MFCD03427142
• UNSPSC Code: 12352005
• PubChem Substance ID: 24883790
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.4710 (lit.)
• bp: 120 °C/0.001 mmHg (lit.)
• density: 1.002 g/mL at 25 °C (lit.)
• functional group: ether
• SMILES string: CCC(CC)(C1=N[C@H](CO1)C(C)C)C2=N[C@H](CO2)C(C)C
• InChI: 1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m1/s1
• InChI key: PIJFQTUSLZLNOP-ZIAGYGMSSA-N

Description

Application

(4S,4′S)-(−)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline) is a bisoxazoline that can be used as a ligand:

• To prepare [¹¹C]carboxylic acids, [¹¹C]esters and [¹¹C]amides using boronic acid esters and ¹¹CO₂.
• In one of the key synthetic steps for the total synthesis of tatanan A and 3-epi-tatanan A.
• To prepare copper(I) complex and used in a mass spectrometric method to study its chiral selectivity with different substrates.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 180.0 °F - closed cup
• Flash Point(C): 82.22 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves