5-Tert-butoxy-5-oxopentanoic acid

Base Information

• Chemical Name: 5-Tert-butoxy-5-oxopentanoic acid
• CAS No.: 63128-51-8
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• European Community (EC) Number: 809-422-7
• DSSTox Substance ID: DTXSID40465396
• Nikkaji Number: J1.483.923B
• Wikidata: Q82291317
• Mol file: 63128-51-8.mol

Synonyms:5-tert-butoxy-5-oxopentanoic acid;63128-51-8;5-(tert-Butoxy)-5-oxopentanoic acid;Pentanedioic acid mono-tert-butyl ester;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;glutaric acid mono-tert-butyl ester;5-(tert-Butoxy)-5-oxopentanoicacid;MFCD09759103;glutaric acid t-butyl ester;SCHEMBL645859;glutaric acid 1-t-butyl ester;DTXSID40465396;VZHNAVSRNGLHRD-UHFFFAOYSA-N;AMY21419;5-tert-butoxy-5-oxo-pentanoic acid;FD6012;AKOS006326509;SB38029;AS-49264;SY198402;CS-0139660;FT-0656813;EN300-224893;A834226;A1-00873;Pentanedioic acid mono-tert-butyl ester, AldrichCPR

Chemical Property of 5-Tert-butoxy-5-oxopentanoic acid

Chemical Property:

• Melting Point: 17 °C
• Boiling Point: 105 °C(Press: 2 Torr)
• PKA: 4.62±0.10(Predicted)
• PSA: 63.60000
• Density: 1.073±0.06 g/cm3(Predicted)
• LogP: 1.58300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

5-tert-Butoxy-5-oxopentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Tert-butoxy-5-oxopentanoic acid

There total 11 articles about 5-Tert-butoxy-5-oxopentanoic 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: 75.0%

→ mono-tert-butylglutarate acid + 5-(tert-butoxy)-5-oxopentanoic acid (63128-51-8)

Guidance literature:

Reference yield: 50.0%

glutaric anhydride, (108-55-4) + tert-butyl alcohol (75-65-0) → 5-(tert-butoxy)-5-oxopentanoic acid (63128-51-8)

Guidance literature:

With zinc(II) chloride; at 60 ℃; for 72h;

DOI:10.1039/a608389g

Reference yield: 40.0%

→ 5-(tert-butoxy)-5-oxopentanoic acid (63128-51-8)

Guidance literature:

upstream raw materials:

5-ethoxy-5-oxopentanoic acid

tert-butyl alcohol

Iodoacetic acid

tert-Butyl acrylate

Downstream raw materials:

4-(Methoxy-methyl-carbamoyl)-butyric acid tert-butyl ester

5-(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)-5-hydroxy-pentanoic acid tert-butyl ester

(R)-3-{4-[(tert-butoxy)carbonyl]-1-oxobutyl}-4-(1-methylethyl)-5,5-diphenyloxazolidin-2-one

1,5-pentanedioic acid