71173-00-7

Basic information

• Product Name: 6-BENZYLAMINO-2-METHYL-HEPTAN-2-OL
• Synonyms: 6-BENZYLAMINO-2-METHYL-HEPTAN-2-OL;6-BENZYLAMINO-2-METHYL-2-HEPTANOL
• CAS NO: 71173-00-7
• Molecular Formula: C₁₅H₂₅NO
• Molecular Weight: 235.37
• Mol File: 71173-00-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 342.5°C at 760 mmHg
• Flash Point: 71.6°C
• Appearance: /
• Density: 0.962g/cm³
• Vapor Pressure: 2.88E-05mmHg at 25°C
• Refractive Index: 1.511
• PKA: 15.29±0.29(Predicted)
• CAS DataBase Reference: 6-BENZYLAMINO-2-METHYL-HEPTAN-2-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 6-BENZYLAMINO-2-METHYL-HEPTAN-2-OL(71173-00-7)
• EPA Substance Registry System: 6-BENZYLAMINO-2-METHYL-HEPTAN-2-OL(71173-00-7)

Safety Data

• Hazardous Substances Data: 71173-00-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H25NO/c1-13(8-7-11-15(2,3)17)16-12-14-9-5-4-6-10-14/h4-6,9-10,13,16-17H,7-8,11-12H2,1-3H3

Upstream product

• 100-52-7 benzaldehyde 
• 100-46-9 benzylamine 

Relevant articles and documents

Erratum: Ruthenium-catalyzed C-H hydroxylation in aqueous acid enables selective functionalization of amine derivatives (Journal of the American Chemical Society (2017) 139:28 (9503-9506) DOI: 10.1021/jacs.7b05469)

Page 9504. The structure of product 3cc in Table 2 was found to be mis-assigned. We thank Prof. Phil Baran and Dr. Rafael Navratil for bringing this error to our attention. The correct structure contains an additional benzylic alcohol at the C-9 position of the steroid (3cc′, shown below). With the accompanying change in molecular weight, the isolated yield is 29%. Supporting Information. The incorrect structure and yield also appeared on pages S20 and S84 in the SI. Given this, the HRMS entry on page S20 should read as follows: “HRMS (ESI-TOF) m/z calcd for C19H18F3O5S+ (M-O+Na)+ 415.0822, found 415.0857”. The complete corrected SI is provided here.