1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester

Base Information

• Chemical Name: 1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester
• CAS No.: 92828-40-5
• Molecular Formula: C₁₁H₁₈O₆
• Molecular Weight: 246.26
• Mol file: 92828-40-5.mol

Synonyms:1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester;1,1,2-EthanetricarboxylicAcid,2-(1,1-Dimethyleth;TERT-BUTYLOXYCARBOXYLMETHYLMALONATE

Chemical Property of 1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester

Chemical Property:

• PSA: 78.90000
• LogP: 0.68040

Purity/Quality:

99% ^*data from raw suppliers

1,1,2-ETHANETRICARBOXYLIC ACID, 2-(1,1-DIMETHYLETHYL)1,1-DIMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester

There total 1 articles about 1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester 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: 84.0%

bromoacetic acid tert-butyl ester (5292-43-3) + malonic acid dimethyl ester (108-59-8) → 2-(tert-butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate (92828-40-5)

Guidance literature:

With potassium phosphate; In 1,2-dimethoxyethane; at 10 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02910

Reference yield:

2-(tert-butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate (92828-40-5) → tert-butyl (5aR,6S,6aS)-3-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylate

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium methylate / N,N-dimethyl acetamide / 13 h / 0 - 5 °C / Inert atmosphere

2.1: lithium chloride; acetic acid / 1-methyl-pyrrolidin-2-one / 10 h / 73 - 83 °C / Inert atmosphere

3.1: n-butyllithium / tetrahydrofuran; hexane; tert-butyl methyl ether / 1 h / -90 - -70 °C / Inert atmosphere

3.2: 1 h / -90 - -70 °C / Inert atmosphere

4.1: ketoreductase-264; nicotinamide adenine dinucleotide phosphate / isopropyl alcohol; aq. phosphate buffer / 2.5 h / 50 °C / pH 9 / Inert atmosphere; Enzymatic reaction

5.1: diethyl chlorophosphate; lithium hexamethyldisilazane / tert-butyl methyl ether / 6 h / -10 - -6 °C / Inert atmosphere

6.1: caesium carbonate; palladium diacetate; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine / toluene / 4 h / 80 °C / Inert atmosphere

With n-butyllithium; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; ketoreductase-264; sodium methylate; palladium diacetate; nicotinamide adenine dinucleotide phosphate; caesium carbonate; diethyl chlorophosphate; acetic acid; lithium chloride; lithium hexamethyldisilazane; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; aq. phosphate buffer; hexane; tert-butyl methyl ether; N,N-dimethyl acetamide; isopropyl alcohol; toluene;

DOI:10.1021/acs.orglett.6b02910

Reference yield:

2-(tert-butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate (92828-40-5) → 2-[(R)-1-Cyclohexyl-2-((2S,5S)-2,5-dimethyl-pyrrolidin-1-yl)-2-oxo-ethyl]-malonic acid dimethyl ester (128883-58-9)

Guidance literature:

Multi-step reaction with 6 steps

1: NBS / (PHCO₂)2 / CCl₄

2: NEt₃ / diethyl ether

3: CF₃CO₂H / CH₂Cl₂

4: N-methylmorpholine

6: NaBH₄ / 0 °C

With 4-methyl-morpholine; sodium tetrahydroborate; N-Bromosuccinimide; triethylamine; trifluoroacetic acid; dibenzoyl peroxide; In tetrachloromethane; diethyl ether; dichloromethane;

DOI:10.1016/S0040-4039(00)88852-8

upstream raw materials:

bromoacetic acid tert-butyl ester

malonic acid dimethyl ester

Downstream raw materials:

2-[(R)-1-Cyclohexyl-2-((2S,5S)-2,5-dimethyl-pyrrolidin-1-yl)-2-oxo-ethyl]-malonic acid dimethyl ester

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