mPEG9-CH2COOH

Base Information

• Chemical Name: mPEG9-CH2COOH
• CAS No.: 405518-55-0
• Molecular Formula: C21H42O12
• Molecular Weight: 486.557
• DSSTox Substance ID: DTXSID30435826
• Wikidata: Q72461644
• Mol file: 405518-55-0.mol

Synonyms:405518-55-0;mPEG9-CH2COOH;3,6,9,12,15,18,21,24,27,30-DECAOXAHENTRIACONTANOIC ACID;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2,5,8,11,14,17,20,23,26,29-Decaoxahentriacontan-31-oic acid;m-PEG9-acetic acid;SCHEMBL3541625;DTXSID30435826;XVVLEAQJQOTYFV-UHFFFAOYSA-N;AKOS040743503;MS-29038;HY-133286;CS-0116194

Chemical Property of mPEG9-CH2COOH

Chemical Property:

• Boiling Point: 557.372 °C at 760 mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 175.904 °C
• PSA: 129.60000
• Density: 1.123 g/cm³
• LogP: -0.13320
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 29
• Exact Mass: 486.26762677
• Heavy Atom Count: 33
• Complexity: 386

Purity/Quality:

99.3% ^*data from raw suppliers

mPEG9-CH2COOH min.95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O

Technology Process of mPEG9-CH2COOH

There total 3 articles about mPEG9-CH2COOH 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%

tert-butyl 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oate → 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oic acid (405518-55-0)

Guidance literature:

With formic acid; In dichloromethane; at 25 ℃;

Reference yield:

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-ol (6048-68-6) → 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oic acid (405518-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 20 °C

1.2: 1 h / 20 °C

2.1: formic acid / dichloromethane / 25 °C

With formic acid; sodium hydride; In tetrahydrofuran; dichloromethane; mineral oil;

Reference yield:

→ 2,5,8,11,14,17,20,23,26,29-decaoxahentriacontan-31-oic acid (405518-55-0)

Guidance literature:

upstream raw materials:

2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-ol

Refernces

• 1、 -. "CONJUGATION LINKERS CONTAINING 2,3-DIAMINOSUCCINYL GROUP". . . Retrieved 2020/05/19.
• 2、 -. "A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS". . . Retrieved 2019/07/17.