Tert-butyl 2,3-dioxobutanoate

Base Information

• Chemical Name: Tert-butyl 2,3-dioxobutanoate
• CAS No.: 31108-35-7
• Molecular Formula: C₈H₁₂O₄
• Molecular Weight: 172.181
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00450804
• Nikkaji Number: J699.215C
• Wikidata: Q82270625
• Mol file: 31108-35-7.mol

Synonyms:tert-butyl 2,3-dioxobutanoate;31108-35-7;2,3-DIOXO-BUTYRIC ACID TERT-BUTYL ESTER;2,3-DIOXO-BUTYRICACIDTERT-BUTYLESTER;t-Butyl-2,3-dioxobutyrate;tert-butyl2,3-dioxobutanoate;SCHEMBL4854723;DTXSID00450804;LRUWQFVUXMRECG-UHFFFAOYSA-N;AKOS006280288;2,3-Dioxobutanoic acid tert-butyl ester;A876027

Chemical Property of Tert-butyl 2,3-dioxobutanoate

Chemical Property:

• PSA: 60.44000
• LogP: 0.48620
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2,3-dioxo-butyricacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 2,3-dioxobutanoate

There total 3 articles about Tert-butyl 2,3-dioxobutanoate 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: 51.0%

5-[1-tert-Butoxycarbonyl-2-oxo-prop-(Z)-ylideneamino]-2,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid tert-butyl ester (91473-95-9) → tert-butyl 2,3-dioxobutanoate (31108-35-7) + 2,5-Dimethyl-4-phenyl-3-pyrrolcarbonsaeure-tert-butylester (95838-68-9)

Guidance literature:

With hydrogenchloride; In methanol; water; Heating;

Reference yield: 40.0%

5-<(Acetyl)(tert-butoxycarbonyl)methylenamino>-4-(4-chlorphenyl)-4,5-dihydro-2,5-dimethyl-3-furancarbonsaeure-tert-butylester (95838-94-1) → tert-butyl 2,3-dioxobutanoate (31108-35-7) + 4-(4-Chlorphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-tert-butylester (95838-69-0)

Guidance literature:

With hydrogenchloride; In methanol; water; Heating;

Reference yield: 36.0%

5-<(Acetyl)(tert-butoxycarbonyl)methylenamino>-4,5-dihydro-4-(4-methoxyphenyl)-2,5-dimethyl-3-furancarbonsaeure-tert-butylester (95838-95-2) → tert-butyl 2,3-dioxobutanoate (31108-35-7) + 4-(4-Methoxyphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-tert-butylester (95838-70-3)

Guidance literature:

With hydrogenchloride; In methanol; water; Heating;

upstream raw materials:

5-<(Acetyl)(tert-butoxycarbonyl)methylenamino>-4-(4-chlorphenyl)-4,5-dihydro-2,5-dimethyl-3-furancarbonsaeure-tert-butylester

5-[1-tert-Butoxycarbonyl-2-oxo-prop-(Z)-ylideneamino]-2,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid tert-butyl ester

5-<(Acetyl)(tert-butoxycarbonyl)methylenamino>-4,5-dihydro-4-(4-methoxyphenyl)-2,5-dimethyl-3-furancarbonsaeure-tert-butylester

Downstream raw materials:

tert-butyl (S)-2-acetyl-2-hydroxy-4-phenylpent-4-enoate

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