Tert-butyl ethyl 2-[(tert-butyl)oxycarbonyl]butane-1,4-dioate

Base Information

• Chemical Name: Tert-butyl ethyl 2-[(tert-butyl)oxycarbonyl]butane-1,4-dioate
• CAS No.: 23550-28-9
• Molecular Formula: C15H26 O6
• Molecular Weight: 302.368
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID70444154
• Wikidata: Q82262187
• Mol file: 23550-28-9.mol

Synonyms:23550-28-9;TERT-BUTYL ETHYL 2-[(TERT-BUTYL)OXYCARBONYL]BUTANE-1,4-DIOATE;1-O,1-O-ditert-butyl 2-O-ethyl ethane-1,1,2-tricarboxylate;1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate;1,1,2-Ethanetricarboxylic acid, 1,1-bis(1,1-dimethylethyl) 2-ethyl ester;SCHEMBL3410049;DTXSID70444154;UHWMYQZIMKZKBL-UHFFFAOYSA-N;1,1,2-Ethanetricarboxylic acid, 1,1-bis(1,1-dimethylethyl) ethyl ester;AKOS015969189;FT-0703722;di-tert-butyl 2-(ethoxycabonylmethyl)malonate;J-015146

Chemical Property of Tert-butyl ethyl 2-[(tert-butyl)oxycarbonyl]butane-1,4-dioate

Chemical Property:

• PSA: 78.90000
• LogP: 2.23920
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 302.17293854
• Heavy Atom Count: 21
• Complexity: 358

Purity/Quality:

98%Min ^*data from raw suppliers

TERT-BUTYL ETHYL-2-[(TERT-BUTYL)OXYCARBONYL]BUTANE-1,4-DIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl ethyl 2-[(tert-butyl)oxycarbonyl]butane-1,4-dioate

There total 4 articles about Tert-butyl ethyl 2-[(tert-butyl)oxycarbonyl]butane-1,4-dioate 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: 85.0%

t-butyl malonate (541-16-2) + ethyl bromoacetate (105-36-2) → 1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate (23550-28-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield: 75.0%

t-butyl malonate (541-16-2) + chloroacetic acid ethyl ester (105-39-5) → 1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate (23550-28-9)

Guidance literature:

With Kalium-tert-butylat;

Reference yield:

→ 1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate (23550-28-9)

Guidance literature:

With tetrahydrofuran; sodium hydride; anschliessend mit Chloressigsaeure-aethylester;

upstream raw materials:

t-butyl malonate

chloroacetic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

(Di-tert-butyl-2-ethyl)-1-(3-oxocyclohexyl)-1,1,2-ethantricarboxylat

ethyl 4-(cyclopentyl)-4-oxobutanoate

ethyl 4-(4-methylcyclohexyl)-4-oxobutyrate

4-cyclohexyl-4-oxo-butyric acid ethyl ester