(2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine

Base Information

• Chemical Name: (2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine
• CAS No.: 219794-79-3
• Molecular Formula: C10H19NO
• Molecular Weight: 169.26400
• DSSTox Substance ID: DTXSID30584106
• Nikkaji Number: J1.023.460C,J1.841.645J
• Mol file: 219794-79-3.mol

Synonyms:(2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine;219794-79-3;[(2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;((2S,4S,5R)-5-Ethylquinuclidin-2-yl)methanol;starbld0005543;DTXSID30584106;AKOS025294926;J-014389;(2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine, >=98.0%

Chemical Property of (2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine

Chemical Property:

• Vapor Pressure: 0.00298mmHg at 25°C
• Refractive Index: n20/D 1.500
• Boiling Point: 252.6oC at 760 mmHg
• Flash Point: 106oC
• PSA: 23.47000
• Density: 1.04g/cm3
• LogP: 1.03700
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.146664230
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

(2S,4S,5R)-2-HYDROXYMETHYL-5-ETHYLQUINUCLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CN2CCC1CC2CO
• Isomeric SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2CO

Technology Process of (2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine

There total 2 articles about (2S,4S,5R)-2-Hydroxymethyl-5-ethylquinuclidine 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: 100.0%

[(2S,4S,5R)-2-hydroxymethyl-5-vinyl-2-quinuclidine] (207129-36-0) → ((2S,4S,5R)-5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol (219794-79-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 8h;

DOI:10.1016/S0957-4166(01)00342-1

Reference yield: 98.0%

(2S,4S,5R)-2-hydroxymethyl-5-vinylquinuclidine → dihydroquincorine (219794-79-3)

Guidance literature:

With hydrogen; 10percent Pd/C; In tetrahydrofuran; for 8h; under 3040.2 Torr;

DOI:10.1039/b304060g

Reference yield:

((2S,4S,5R)-5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol (219794-79-3) → (2S,4S,5R)-2-[(Diphenylphosphanyl)-methyl]-5-ethyl-1-aza-bicyclo[2.2.2]octane

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq.HCl / ethanol / 0.5 h / 20 °C

1.2: 81 percent / thionyl chloride / CHCl₃ / 2 h / Heating

2.1: 24 percent / potassium tert-butoxide / tetrahydrofuran / Heating

With hydrogenchloride; potassium tert-butylate; In tetrahydrofuran; ethanol;

DOI:10.1016/S0022-328X(01)01148-2

upstream raw materials:

[(2S,4S,5R)-2-hydroxymethyl-5-vinyl-2-quinuclidine]

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 219794-79-3 (2S,4S,5R)-2-HYDROXYMETHYL-5-ETHYLQUINUCLIDINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send