2-Ethyl-2-methyl-1,3-propanediol

Base Information

• Chemical Name: 2-Ethyl-2-methyl-1,3-propanediol
• CAS No.: 77-84-9
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 2905399590
• European Community (EC) Number: 201-062-3
• NSC Number: 35408
• UNII: 6TRA28C44U
• DSSTox Substance ID: DTXSID20227813
• Nikkaji Number: J6J
• Wikidata: Q27894531
• Mol file: 77-84-9.mol

Synonyms:2-Ethyl-2-methyl-1,3-propanediol;77-84-9;2-Ethyl-2-methylpropane-1,3-diol;2-Methyl-2-ethyl-1,3-propanediol;1,3-Propanediol, 2-ethyl-2-methyl-;6TRA28C44U;EINECS 201-062-3;NSC 35408;NSC-35408;AI3-26047;2,2-Bis(hydroxymethyl)butane;NSC35408;UNII-6TRA28C44U;SCHEMBL45387;DTXSID20227813;2-ethyl-2-methyl1,3-propanediol;2-methyl-2-ethyl-propane-1,3-diol;MFCD00004693;AKOS015856364;SB84497;2-methyl-2-ethyl-1,3-propylene glycol;s10151;AS-60988;CS-0207422;E0412;FT-0612239;A865143;Q27894531

Chemical Property of 2-Ethyl-2-methyl-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.0168mmHg at 25°C
• Melting Point: 43 ºC
• Refractive Index: 1.448
• Boiling Point: 225.8 °C at 760 mmHg
• Flash Point: 96.1 °C
• PSA: 40.46000
• Density: 0.963 g/cm³
• LogP: 0.38730
• Water Solubility.: almost transparency
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

2-Ethyl-2-methyl-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CO)CO

Technology Process of 2-Ethyl-2-methyl-1,3-propanediol

There total 10 articles about 2-Ethyl-2-methyl-1,3-propanediol 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: 94.0%

diethyl 2-ethyl-2-methylmalonate (2049-70-9) → 2-ethyl-2-methyl-1,3-propanediol (77-84-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 4h;

DOI:10.1016/j.bmc.2003.08.017

Reference yield: 61.5%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + ethylacrolein (922-63-4) → (+/-)-2-methyl-1-butanol (137-32-6) + 2-ethyl-2-methyl-1,3-propanediol (77-84-9)

Guidance literature:

With formaldehyd; hydroquinone;

Reference yield: 57.5%

4-penten-3-one (1629-58-9) → (+/-)-2-pentanol (6032-29-7,13403-73-1) + 2-ethyl-2-methyl-1,3-propanediol (77-84-9)

Guidance literature:

With formaldehyd; hydroquinone; In 1,4-dioxane; ethanol;

upstream raw materials:

formaldehyd

2-Methylbutyraldehyde

2-(hydroxymethyl)-2-methylbutanal

diethyl 2-ethyl-2-methylmalonate

Downstream raw materials:

2-ethyl-2-methylmalonic acid

4-hydroxy-1,2-benzenedicarbonitrile

1,3-bis(3',4'-dicyanophenyl)-2-ethyl-2-methylpropane

4-(2-(hydroxymethyl)-2-methylbutoxy)benzene-1,2-dicarbonitrile

Refernces

• 1、 -. "Triazolopyridazine compounds with anti-PAF, anti-LTC4, and anti-endothelin-1 activities as antiasthmatic agents.". . . Retrieved 2008/06/13.
• 2、 -. "Triazolopyridazine compounds, their production and use". . . Retrieved 2008/06/13.