N-Acetylsolasodine

Base Information

Chemical Name:N-Acetylsolasodine
CAS No.:60509-33-3
Molecular Formula:C₁₁H₁₆FN
Molecular Weight:181.253
Hs Code.:2921499090
European Community (EC) Number:261-458-7
DSSTox Substance ID:DTXSID20275955,DTXSID30974341
Mol file:60509-33-3.mol

Synonyms:N-Acetylsolasodine;1-(3-hydroxyspirosol-5-en-28-yl)ethanone;1-(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-1'-yl)ethanone;Solasodine N-acetate;DTXSID20275955;DTXSID30974341;JXAZKNVJWYDQJY-UHFFFAOYSA-N;28-Acetylspirosol-5-en-3-ol #;58822-29-0;3,22-Dihydroxysolasodine N-acetate;BBL033774;STL372751;AKOS025247948;VS-12268;1-(3-Hydroxyspirosol-5-en-28-yl)ethan-1-one;Spirosol-5-en-3-ol, 28-acetyl-, (3.beta.,22.alpha.,25R)-;1-{16-HYDROXY-5',7,9,13-TETRAMETHYL-5-OXASPIRO[PENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOSANE-6,2'-PIPERIDIN]-18-EN-1'-YL}ETHAN-1-ONE

Suppliers and Price of N-Acetylsolasodine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
N-(2-Fluorobenzyl)butan-1-amine 95+%
1g
$ 713.00

Chemenu
N-(2-Fluorobenzyl)butan-1-amine 95%
1g
$ 673.00

American Custom Chemicals Corporation
BUTYL[(2-FLUOROPHENYL)METHYL]AMINE 95.00%
5G
$ 1018.71

American Custom Chemicals Corporation
BUTYL[(2-FLUOROPHENYL)METHYL]AMINE 95.00%
1G
$ 685.21

Acrotein
N-(2-Fluorobenzyl)butan-1-amine 97%
1g
$ 82.50

Total 10 raw suppliers

Chemical Property of N-Acetylsolasodine

Chemical Property:

Vapor Pressure:0.0544mmHg at 25°C
Boiling Point:233.9°C at 760 mmHg
Flash Point:95.3°C
PSA：12.03000
Density:0.98g/cm³
LogP:3.10630
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:455.33994430
Heavy Atom Count:33
Complexity:869

Purity/Quality:

99.90% ^*data from raw suppliers

N-(2-Fluorobenzyl)butan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)N(C1)C(=O)C

Technology Process of N-Acetylsolasodine

There total 3 articles about N-Acetylsolasodine 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: 79.0%

: 123-72-8
butyraldehyde

: 89-99-6
2-fluorobenzylamine

: 60509-33-3
N-(2-fluorobenzyl)butan-1-amine

Guidance literature:: butyraldehyde; 2-fluorobenzylamine; In chloroform; at 60 ℃;

With sodium tetrahydroborate; In methanol; at 25 ℃;
DOI:10.1021/jacs.9b03375

Reference yield:

: Butyl-[1-(2-fluoro-phenyl)-meth-(E)-ylidene]-amine

: 60509-33-3
N-(2-fluorobenzyl)butan-1-amine

Guidance literature:: With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h; Cooling with ice;

Reference yield:

: 446-52-6
2-Fluorobenzaldehyde

: 60509-33-3
N-(2-fluorobenzyl)butan-1-amine

Guidance literature:: Multi-step reaction with 2 steps

1: magnesium sulfate / dichloromethane / 2 h / 20 °C

2: sodium tetrahydroborate / methanol / 1 h / 20 °C / Cooling with ice

With sodium tetrahydroborate; magnesium sulfate; In methanol; dichloromethane;