2-Ethyl-2-(hydroxymethyl)butyraldehyde

Base Information

• Chemical Name: 2-Ethyl-2-(hydroxymethyl)butyraldehyde
• CAS No.: 1634-72-6
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2912491000
• European Community (EC) Number: 216-654-7
• UNII: K3AY5LTV6F
• DSSTox Substance ID: DTXSID60167582
• Nikkaji Number: J195.264A
• Wikidata: Q83036983
• Mol file: 1634-72-6.mol

Synonyms:2-ethyl-2-(hydroxymethyl)butanal;2-Ethyl-2-(hydroxymethyl)butyraldehyde;1634-72-6;EINECS 216-654-7;Butanal, 2-ethyl-2-(hydroxymethyl)-;K3AY5LTV6F;SCHEMBL342641;2,2-Diethyl-3-hydroxypropanal;DTXSID60167582;Butyraldehyde, 2-ethyl-2-(hydroxymethyl)-

Chemical Property of 2-Ethyl-2-(hydroxymethyl)butyraldehyde

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Boiling Point: 196.7°Cat760mmHg
• Flash Point: 76.5°C
• PSA: 37.30000
• Density: 0.936g/cm³
• LogP: 0.98400
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CO)C=O

Technology Process of 2-Ethyl-2-(hydroxymethyl)butyraldehyde

There total 2 articles about 2-Ethyl-2-(hydroxymethyl)butyraldehyde 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: 68.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-Ethylbutyraldehyde (97-96-1) → 2-ethyl-2-(hydroxymethyl)butanal (1634-72-6)

Guidance literature:

With triethylamine; In water; for 3h; Heating;

Reference yield:

2,2-diethyl-1,3-propanediol (115-76-4) → 2-ethyl-2-(hydroxymethyl)butanal (1634-72-6)

Guidance literature:

With Rhodococcus sp. 2N; In aq. buffer; at 30 ℃; pH=8;

DOI:10.1080/09168451.2018.1559031

Reference yield: 47.0%

morpholine (110-91-8,99108-56-2) + 2-ethyl-2-(hydroxymethyl)butanal (1634-72-6) + β-naphthol (135-19-3) → 4-(2,2-diethyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-3-yl)morpholine (1107665-00-8) + 2-hydroxy-1-(N-morpholinomethyl)naphthalene (27438-39-7)

Guidance literature:

With toluene-4-sulfonic acid; at 190 ℃; for 0.0833333h; Neat (no solvent); Microwave irradiation; Closed vessel;

DOI:10.1016/j.tetlet.2008.10.083

upstream raw materials:

formaldehyd

2-Ethylbutyraldehyde

2,2-diethyl-1,3-propanediol

Downstream raw materials:

diethyl malonic acid

p-Chlor-benzolsulfonsaeure-2-ethyl-2-formyl-butylester

2-benzenesulfonyloxymethyl-2-ethyl-butanal

2-ethyl-2-(p-tolylsulphonyloxymethyl)butanal

Refernces

• 1、 Jha, Amitabh,Huang, Po-Jung Jimmy,Mukherjee, Chandrani,Paul, Nawal K.. "A convenient one-pot synthesis of 2,2-dialkyl-2,3-dihydro-1H-naphtho[2,1-b] pyrans". . p. 3127 - 3130. Retrieved 2008/09/19.
• 2、 Sirkecioglu, Okan,Tahnh, Naciye,Akar, Ahmet. "A Novel Synthesis of 14-(Hydroxymethylalkyl) Derivatives of Dibenzoxanthenes and 3,3-Dimethyl-4-(2-hydroxy-1-naphthyl)benzochroman". . p. 456 - 460. Retrieved 2007/10/03.