2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol

Base Information

• Chemical Name: 2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol
• CAS No.: 651042-82-9
• Molecular Formula: C₁₅H₃₂O₇S
• Molecular Weight: 356.481
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID40584839
• Nikkaji Number: J1.874.982C
• Wikidata: Q72481358
• Mol file: 651042-82-9.mol

Synonyms:m-PEG7-thiol;651042-82-9;2,5,8,11,14,17,20-HEPTAOXADOCOSANE-22-THIOL;mPEG7-SH;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol;alpha-Methoxy-omega-mercapto hepta(ethylene glycol);O-(2-Mercaptoethyl)-O inverted exclamation marka-methyl-hexa(ethylene glycol);SCHEMBL17336116;DTXSID40584839;BCP11352;MFCD08274612;AKOS025211689;HY-W052006;SB67195;AS-78344;BP-22085;CS-0044653;E78579

Chemical Property of 2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol

Chemical Property:

• Melting Point: 50-55 °C
• Boiling Point: 423.7±45.0 °C(Predicted)
• PKA: 9?+-.0.10(Predicted)
• Flash Point: >230 °C
• PSA: 103.41000
• Density: 1.065
• LogP: 0.66220
• Storage Temp.: ?20°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 20
• Exact Mass: 356.18687453
• Heavy Atom Count: 23
• Complexity: 210

Purity/Quality:

98%,99%, ^*data from raw suppliers

Poly(ethylene glycol) methyl ether thiol average Mn 2,000 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOCCOCCOCCOCCOCCOCCS
• Description: m-PEG7-thiol is a PEG linker containing a thiol group. The thiol group reacts with maleimide, OPSS, vinylsulfone and transition metal surfaces including gold, silver, etc. The hydrophilic PEG spacer increases solubility in aqueous media.
• Uses: Applications may include: bioconjugation, drug delivery, PEG hydrogel, crosslinker, and surface functionalization

Technology Process of 2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol

There total 2 articles about 2,5,8,11,14,17,20-Heptaoxadocosane-22-thiol 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: 52.0%

2,5,8,11,14,17,20-heptaoxadocosan-22-yl 4-methylbenzene-1-sulfonate (79622-11-0) → alpha-methoxy-omega-mercapto-hepta(ethylene glycol) (134874-49-0,651042-82-9)

Guidance literature:

With thiourea; In ethanol; at 100 ℃; for 10h;

DOI:10.1002/ejoc.201601405

Reference yield:

3,6,9,12,15,18,21-heptaoxadocosan-1-ol (4437-01-8) → alpha-methoxy-omega-mercapto-hepta(ethylene glycol) (134874-49-0,651042-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / dichloromethane / 48 h / 0 - 20 °C

2: thiourea / ethanol / 10 h / 100 °C

With dmap; triethylamine; thiourea; In ethanol; dichloromethane;

DOI:10.1002/ejoc.201601405

upstream raw materials:

2,5,8,11,14,17,20-heptaoxadocosan-22-yl 4-methylbenzene-1-sulfonate

3,6,9,12,15,18,21-heptaoxadocosan-1-ol

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