HS-PEG10-CH2CH2COOtBu

Base Information

• Chemical Name: HS-PEG10-CH2CH2COOtBu
• CAS No.: 778596-28-4
• Molecular Formula: C27H54O12S
• Molecular Weight: 602.77546
• DSSTox Substance ID: DTXSID201131127
• Mol file: 778596-28-4.mol

Synonyms:778596-28-4;HS-PEG10-CH2CH2COOtBu;HS-PEG10-tBu;tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-Butyl 1-mercapto-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontan-33-oate;DTXSID201131127;1,1-Dimethylethyl 33-mercapto-4,7,10,13,16,19,22,25,28,31-decaoxatritriacontanoate

Chemical Property of HS-PEG10-CH2CH2COOtBu

Chemical Property:

• PSA: 157.40000
• LogP: 1.81400
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 34
• Exact Mass: 602.33359833
• Heavy Atom Count: 40
• Complexity: 522

Purity/Quality:

99.3% ^*data from raw suppliers

HS-PEG10-CH2CH2COOtBu min.95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS

Technology Process of HS-PEG10-CH2CH2COOtBu

There total 10 articles about HS-PEG10-CH2CH2COOtBu 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:

Tetraethylene glycol (112-60-7) → 3-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-mercapto-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl ester (778596-28-4)

Guidance literature:

Multi-step reaction with 7 steps

1.1: Na / tetrahydrofuran

1.2: 78 percent / tetrahydrofuran / 20 h / 20 °C

2.1: 80 percent / Et₃N / acetonitrile / 5 h / 20 °C

3.1: t-BuOK / toluene / 1 h

3.2: 67 percent / toluene

4.1: 77 percent / H₂ / Pd/C / methanol / 20 °C / 1448.01 Torr

5.1: 350 mg / Et₃N / acetonitrile / 48 h / 20 °C

6.1: 86 percent / ethanol / 4 h / 20 °C

7.1: aq. hydroxylamine buffer / ethanol / 1 h / pH 7.5

With hydroxylamine buffer; potassium tert-butylate; hydrogen; sodium; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; toluene; acetonitrile;

DOI:10.1021/jm049705s

Reference yield:

pentaethylene glycol (2615-15-8) → 3-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-mercapto-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl ester (778596-28-4)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 74 percent / pyridine / 20 °C

2.1: t-BuOK / toluene / 1 h

2.2: 67 percent / toluene

3.1: 77 percent / H₂ / Pd/C / methanol / 20 °C / 1448.01 Torr

4.1: 350 mg / Et₃N / acetonitrile / 48 h / 20 °C

5.1: 86 percent / ethanol / 4 h / 20 °C

6.1: aq. hydroxylamine buffer / ethanol / 1 h / pH 7.5

With pyridine; hydroxylamine buffer; potassium tert-butylate; hydrogen; triethylamine; palladium on activated charcoal; In methanol; ethanol; toluene; acetonitrile;

DOI:10.1021/jm049705s

Reference yield:

tert-Butyl acrylate (1663-39-4,25232-27-3) → 3-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-mercapto-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl ester (778596-28-4)

Guidance literature:

Multi-step reaction with 7 steps

1.1: Na / tetrahydrofuran

1.2: 78 percent / tetrahydrofuran / 20 h / 20 °C

2.1: 80 percent / Et₃N / acetonitrile / 5 h / 20 °C

3.1: t-BuOK / toluene / 1 h

3.2: 67 percent / toluene

4.1: 77 percent / H₂ / Pd/C / methanol / 20 °C / 1448.01 Torr

5.1: 350 mg / Et₃N / acetonitrile / 48 h / 20 °C

6.1: 86 percent / ethanol / 4 h / 20 °C

7.1: aq. hydroxylamine buffer / ethanol / 1 h / pH 7.5

With hydroxylamine buffer; potassium tert-butylate; hydrogen; sodium; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; toluene; acetonitrile;

DOI:10.1021/jm049705s

upstream raw materials:

3-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-ethoxythiocarbonylsulfanyl-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl ester

Tetraethylene glycol

pentaethylene glycol

tert-Butyl acrylate

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