Triethyl 3-bromopropane-1,1,1-tricarboxylate

Base Information

• Chemical Name: Triethyl 3-bromopropane-1,1,1-tricarboxylate
• CAS No.: 71170-82-6
• Molecular Formula: C12H19 Br O6
• Molecular Weight: 339.183
• UNII: Y75Q6455G0
• DSSTox Substance ID: DTXSID00446621
• Nikkaji Number: J2.502.771J
• Wikidata: Q72510617
• Mol file: 71170-82-6.mol

Synonyms:TRIETHYL 3-BROMOPROPANE-1,1,1-TRICARBOXYLATE;71170-82-6;Y75Q6455G0;Ethyl 4-bromo-2,2-dicarbethoxybutanoate;1,1,1-Propanetricarboxylic acid, 3-bromo-, triethyl ester;1,1,1-Propanetricarboxylic acid, 3-bromo-, 1,1,1-triethyl ester;Triethyl3-bromopropane-1,1,1-tricarboxylate;SCHEMBL4952112;UNII-Y75Q6455G0;DTXSID00446621;VIMWZZMUASPQPL-UHFFFAOYSA-N;AKOS028108830;triethyl (2-bromoethyl)methanetricarboxylate;CS-0455132;FT-0686737;Triethyl-3-bromopropane-1,1,1-tricarboxylate;F20718;A837102;3-bromopropane-1,1,1-tricarboxylic acid triethyl ester

Chemical Property of Triethyl 3-bromopropane-1,1,1-tricarboxylate

Chemical Property:

• Vapor Pressure: 2.54E-05mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 358.5 °C at 760 mmHg
• Flash Point: 170.6 °C
• PSA: 78.90000
• Density: 1.355 g/cm³
• LogP: 1.44710
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 338.03650
• Heavy Atom Count: 19
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

triethyl3-bromopropane-1,1,1-tricarboxylate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCBr)(C(=O)OCC)C(=O)OCC

Technology Process of Triethyl 3-bromopropane-1,1,1-tricarboxylate

There total 8 articles about Triethyl 3-bromopropane-1,1,1-tricarboxylate 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: 96.0%

1-(1H-pyrazolo[4,3-b]pyridin-1-yl)-ethan-1-one (52090-62-7) → 1H-pyrazolo-[4,3-b]-pyridine (272-52-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 0.5h;

Reference yield: 92.0%

methanetricarboxylic acid triethyl ester (6279-86-3) + ethylene dibromide (106-93-4) → triethyl 3-bromopropane-1,1,1-tricarboxylate (71170-82-6)

Guidance literature:

methanetricarboxylic acid triethyl ester; With sodium ethanolate; In diethyl ether; at 0 - 20 ℃; for 0.5h;

ethylene dibromide; In N,N-dimethyl-formamide; at 90 ℃; for 10h; Further stages.;

DOI:10.1021/jm9905211

Reference yield: 70.0%

3-fluoropyridine-2-carbaldehyde (31224-43-8) → 1H-pyrazolo-[4,3-b]-pyridine (272-52-6)

Guidance literature:

With hydrazine hydrate; toluene-4-sulfonic acid; at 130 ℃; for 3h;

DOI:10.1021/acs.joc.8b01728

upstream raw materials:

sodium 1,3-diethoxy-2-(ethoxycarbonyl)-1,3-dioxopropan-2-ide

ethylene dibromide

methanetricarboxylic acid triethyl ester

3-fluoropyridine-2-carbaldehyde

Downstream raw materials:

9-(4-acetoxy-3-acetoxymethylbutyl)-2-aminopurine

diethyl 2-(2-(2-aminopurine-9-yl)ethyl)malonate

Penciclovir

2-amino-6-chloro-9-(4-hydroxy-3-hydroxymethylbut-1-yl)purine

Refernces

• 1、 Faarasse, Soukaina,El Kazzouli, Sa?d,Suzenet, Franck,Guillaumet, Gérald. "Palladium-Catalyzed C3-Arylations of 1H- and 2H-Pyrazolo[4,3- b]pyridines on Water". . p. 12847 - 12854. Retrieved 2018/10/20.
• 2、 -. "PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF". Page/Page column 172. . Retrieved 2017/12/28.