1,1,1-Triethoxypentane

Base Information

• Chemical Name: 1,1,1-Triethoxypentane
• CAS No.: 919-29-9
• Molecular Formula: C11H24O3
• Molecular Weight: 204.31
• European Community (EC) Number: 213-047-9
• DSSTox Substance ID: DTXSID70238757
• Nikkaji Number: J195.211K
• Wikidata: Q72510661
• Mol file: 919-29-9.mol

Synonyms:1,1,1-Triethoxypentane;919-29-9;Triethyl Orthovalerate;ORTHO-N-VALERIC ACID TRIETHYL ESTER;EINECS 213-047-9;1,1,1-Triethoxy-N-pentane;triethylorthovalerate;BuC(OEt)3;Pyrimidine-4-carbonylchloride;SCHEMBL1711205;Orthovaleric Acid Triethyl Ester;DTXSID70238757;MFCD00059383;AKOS015838755;BS-22653;CS-0205214;FT-0651780;T0977;D92428;J-523837

Chemical Property of 1,1,1-Triethoxypentane

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.175mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 219.6 °C at 760 mmHg
• Flash Point: 77 °C
• PSA: 27.69000
• Density: 0.891 g/cm³
• LogP: 2.93990
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.17254462
• Heavy Atom Count: 14
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Triethoxy-pentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(OCC)(OCC)OCC
• Uses: 1,1,1-Triethoxy-pentane is a useful reagent for organic synthesis.

Technology Process of 1,1,1-Triethoxypentane

There total 2 articles about 1,1,1-Triethoxypentane 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:

ethanol (64-17-5) + ethyl valerimidate hydrochloride (18542-63-7) → triethyl orthovalerate (919-29-9)

Guidance literature:

With diethyl ether; at 40 ℃;

Reference yield:

→ triethyl orthovalerate (919-29-9)

Guidance literature:

Reference yield: 97.0%

triethyl orthovalerate (919-29-9) + 7-bromo-N4-(2,4-dimethoxybenzyl)quinoline-3,4-diamine → 7-bromo-2-butyl-1-(2,4-dimethoxybenzyl)-1H-imidazo[4,5-c]quinoline

Guidance literature:

With iodine; In acetonitrile; at 20 ℃;

upstream raw materials:

ethanol

ethyl valerimidate hydrochloride

Downstream raw materials:

8-Butyl-9-(2-hydroxy-ethyl)-1-methyl-3,9-dihydro-purine-2,6-dione

2-butyl-3-(2-phenylethyl)-4(3H)quinazolinone

4-methyl-N-(6-methyl-2-propyl-hepta-3,4-dienyl)-benzenesulfonamide

4-methyl-N-(2-propyl-octa-3,4-dienyl)-benzenesulfonamide

Refernces