Propanal, 3-hydroxy-2-methyl-

Base Information

• Chemical Name: Propanal, 3-hydroxy-2-methyl-
• CAS No.: 38433-80-6
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• DSSTox Substance ID: DTXSID90959331
• Nikkaji Number: J1.775.175A
• Mol file: 38433-80-6.mol

Synonyms:38433-80-6;Propanal, 3-hydroxy-2-methyl-;3-hydroxy-2-methylpropanal;2-methyl-3-hydroxypropanal;2-methyl-3-hydroxy-propionaldehyde;DTXSID90959331;JTMCAHGCWBGWRV-UHFFFAOYSA-N;FT-0700903;EN300-7311506

Chemical Property of Propanal, 3-hydroxy-2-methyl-

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)C=O

Technology Process of Propanal, 3-hydroxy-2-methyl-

There total 12 articles about Propanal, 3-hydroxy-2-methyl- 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: 70.4%

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) → propan-1-ol (71-23-8) + 3-hydroxy-2-methylpropanal (38433-80-6) + 4-hydroxybutyraldehyde (25714-71-0) + propionaldehyde (123-38-6)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); In benzene; at 60 ℃; for 7h; under 5171.5 Torr; Product distribution; Other temperatures, other pressures, other catalysts;

DOI:10.1021/jo01299a600

Reference yield: 54.99%

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) → 3-hydroxy-2-methylpropanal (38433-80-6) + 4-hydroxybutyraldehyde (25714-71-0)

Guidance literature:

With (S_a)-1,16-bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine; hydrogen; In toluene; under 9308.91 - 10343.2 Torr; Reagent/catalyst; Overall yield = 91.27 %; Autoclave;

Reference yield:

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) → 2-hydroxytetrahydrofuran (5371-52-8) + 3-hydroxy-2-methylpropanal (38433-80-6)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); hydrogen; (2-oxo-1,2-dihydro-6-pyridyl)diphenylphosphine; In toluene; at 80 ℃; for 20h; under 7500.6 Torr;

DOI:10.1021/ja0348997

upstream raw materials:

carbon monoxide

allyl alcohol

formaldehyd

propionaldehyde

Downstream raw materials:

Butane-1,4-diol

2-methyl-1.3-propanediol

β-hydroxy-isobutyraldehyde-(2,4-dinitro-phenylhydrazone)

2,2-bis(hydroxymethyl)propionaldehyde 2,4-dinitrophenylhydrazone