2,5,8,11,14-Pentaoxahexadecan-16-oic acid

Base Information

• Chemical Name: 2,5,8,11,14-Pentaoxahexadecan-16-oic acid
• CAS No.: 16024-66-1
• Molecular Formula: C11H22 O7
• Molecular Weight: 266.291
• Hs Code.: 2918990090
• European Community (EC) Number: 240-163-7
• DSSTox Substance ID: DTXSID50166842
• Nikkaji Number: J219.943B
• Wikidata: Q83036112
• Mol file: 16024-66-1.mol

Synonyms:16024-66-1;2,5,8,11,14-Pentaoxahexadecan-16-oic acid;mPEG4-CH2COOH;3,6,9,12,15-pentaoxahexadecanoic acid;Methyl-PEG4-CH2COOH;EINECS 240-163-7;MFCD00021759;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-(2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)ethoxy)acetic acid;2,5,8,11,14-Pentaoxa-16-hexadecanoic Acid;m-PEG4-acetic acid;SCHEMBL3545628;DTXSID50166842;BT-0124;BP-23433;SY036259;HY-130478;CS-0108211;FT-0707701;2,5,8,11,14-Pentaoxahexadecan-16-oicacid;C70295;A930058;(2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}ethoxy)acetic acid

Chemical Property of 2,5,8,11,14-Pentaoxahexadecan-16-oic acid

Chemical Property:

• Vapor Pressure: 8.24E-07mmHg at 25°C
• Boiling Point: 379.6°C at 760 mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 137.1°C
• PSA: 83.45000
• Density: 1.125g/cm³
• LogP: -0.21620
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 266.13655304
• Heavy Atom Count: 18
• Complexity: 186

Purity/Quality:

99.3% ^*data from raw suppliers

mPEG4-CH2COOH min.95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOCCOCCOCCOCC(=O)O
• Description: m-PEG5-CH2COOH is a PEG linker containing a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media.

Technology Process of 2,5,8,11,14-Pentaoxahexadecan-16-oic acid

There total 10 articles about 2,5,8,11,14-Pentaoxahexadecan-16-oic acid 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: 58.0%

→ 3,6,9,12,15-pentaoxahexadecanoic acid (16024-66-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; for 0.333333h; Cooling with ice;

In tetrahydrofuran; mineral oil; at 20 ℃; for 13h; Cooling with ice;

With water; lithium hydroxide; In tetrahydrofuran; mineral oil; for 4h; Reflux;

Reference yield: 51.0%

3,6,9,12,15-pentaoxahexadecanol (23778-52-1,95507-80-5) → 3,6,9,12,15-pentaoxahexadecanoic acid (16024-66-1)

Guidance literature:

With potassium hydroxide; potassium permanganate; In water; for 12h; Ambient temperature;

Reference yield:

C15H30O7 → 3,6,9,12,15-pentaoxahexadecanoic acid (16024-66-1)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h;

upstream raw materials:

3,6,9,12,15-pentaoxahexadecanol

1-chloro-3,6,9-trioxadecane

tetraethylene glycol monomethyl ether

bromoacetic acid

Downstream raw materials:

C₁₇H₂₁F₅O₇

(triphenylphosphine)gold(I)(O₂CCH₂(OCH₂CH₂)4OCH₃)

3-Benzyloxypropylenbis(3,6,9,12,15-pentaoxahexadecanoat)

Refernces

• 1、 -. "Preparation and application of monodisperse polyethylene glycol monomethyl ether modified propofol prodrug". Paragraph 0042; 0043; 0048; 0049. . Retrieved 2018/07/06.
• 2、 -. "ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF". Paragraph 0202; 0203; 0204; 0205. . Retrieved 2017/02/24.