AF 30

Base Information

• Chemical Name: AF 30
• CAS No.: 107869-78-3
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• Mol file: 107869-78-3.mol

Synonyms:AF 30

Chemical Property of AF 30

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Boiling Point: 258.8°Cat760mmHg
• PKA: 10.07±0.40(Predicted)
• Flash Point: 98.9°C
• PSA: 21.70000
• Density: 1.15g/cm³
• LogP: 0.78150

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AF 30

There total 4 articles about AF 30 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + 3(S)-(hydroxymethyl)-3-hydroxy-1-azabicyclo<2.2.2>octane (107770-17-2) → 2'(R)-methylspiro<1-azabicyclo<2.2.2>octane-3(S),4'-<1,3>dioxolane> (107869-78-3) + 2'(S)-methylspiro<1-azabicyclo<2.2.2>octane-3(S),4'-<1,3>dioxolane> (107869-79-4)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 5 ℃; for 1.5h;

DOI:10.1021/jm00389a003

Reference yield:

3-hydroxy-3-methoxycarbonyl-1-azabicyclo[2.2.2]octane (57598-88-6) → 2'(R)-methylspiro<1-azabicyclo<2.2.2>octane-3(S),4'-<1,3>dioxolane> (107869-78-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 6.8 g / Et₃N / CH₂Cl₂ / 4 h / 20 °C

2: LiAlH₄ / tetrahydrofuran / 3 h / Heating

3: BF₃*Et₂O / CH₂Cl₂ / 1.5 h / 5 °C

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00389a003

Reference yield:

methyl 3-<<(3-oxo-4(R),7,7-trimethyl-2-oxabicyclo<2.2.1>hept-1(S)-yl)carbonyl>oxy>-1-azabicyclo<2.2.2>octane-3(S)-carboxylate (107869-74-9) → 2'(R)-methylspiro<1-azabicyclo<2.2.2>octane-3(S),4'-<1,3>dioxolane> (107869-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran / 3 h / Heating

2: BF₃*Et₂O / CH₂Cl₂ / 1.5 h / 5 °C

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00389a003

upstream raw materials:

acetaldehyde

3(S)-(hydroxymethyl)-3-hydroxy-1-azabicyclo<2.2.2>octane

3-hydroxy-3-methoxycarbonyl-1-azabicyclo[2.2.2]octane

methyl 3-<<(3-oxo-4(R),7,7-trimethyl-2-oxabicyclo<2.2.1>hept-1(S)-yl)carbonyl>oxy>-1-azabicyclo<2.2.2>octane-3(S)-carboxylate

Refernces

• 1、 -. "SPIRO (1,3-DIOXOLANE-4,3') QUINUCLIDINE COMPOUNDS". . . Retrieved 2008/06/13.