S-(2-acetamidoethyl) 3-hydroxydecanethioate

Base Information

Chemical Name:S-(2-acetamidoethyl) 3-hydroxydecanethioate
CAS No.:15469-78-0
Molecular Formula:C₁₄H₂₇NO₃S
Molecular Weight:289.439
Hs Code.:2930909090
DSSTox Substance ID:DTXSID00935045
Mol file:15469-78-0.mol

Synonyms:3-hydroxydecanoic acid N-acetylcysteamine thioester;3-hydroxydecanoic acid N-acetylcysteamine thioester, (+-)-isomer;3-hydroxydecanoic acid N-acetylcysteamine thioester, (R)-isomer;3-OHDA-NACS

Suppliers and Price of S-(2-acetamidoethyl) 3-hydroxydecanethioate

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

Total 3 raw suppliers

Chemical Property of S-(2-acetamidoethyl) 3-hydroxydecanethioate

Chemical Property:

Vapor Pressure:8.83E-11mmHg at 25°C
Boiling Point:469.3°Cat760mmHg
Flash Point:237.6°C
PSA：95.19000
Density:1.054g/cm³
LogP:3.33410
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:289.17116490
Heavy Atom Count:19
Complexity:259

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(CC(=O)SCCNC(=O)C)O

Technology Process of S-(2-acetamidoethyl) 3-hydroxydecanethioate

There total 7 articles about S-(2-acetamidoethyl) 3-hydroxydecanethioate 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: 80.0%

: 5561-87-5,19525-80-5,19526-23-9,33044-91-6,14292-26-3
3-hydroxydecanoic acid

: 1190-73-4
2-(acetylamino)ethanethiol

: 15469-78-0
N-{2-[(3-hydroxydecanoyl)sulfanyl]ethyl}acetamide

Guidance literature:: 3-hydroxydecanoic acid; 2-(acetylamino)ethanethiol; With dmap; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1016/j.bmc.2020.115898

Reference yield: 77.0%

: 1190-73-4
2-(acetylamino)ethanethiol

: C₁₃H₂₃NO₂S₂

: 15469-78-0
N-{2-[(3-hydroxydecanoyl)sulfanyl]ethyl}acetamide

Guidance literature:: With potassium carbonate; In acetonitrile; at 20 ℃; for 0.333333h; Inert atmosphere;
DOI:10.1039/c7ob02959d

Reference yield:

: 111-64-8
n-octanoic acid chloride

: 15469-78-0
N-{2-[(3-hydroxydecanoyl)sulfanyl]ethyl}acetamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

1.2: 4 h / -78 - 20 °C

2.1: sodium tetrahydroborate / methanol / 0.33 h / 0 °C

3.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0 - 20 °C / Inert atmosphere

With dmap; sodium tetrahydroborate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium diisopropyl amide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1002/cbic.201402670