Methyl 4-methyl-5-oxopentanoate

Base Information

• Chemical Name: Methyl 4-methyl-5-oxopentanoate
• CAS No.: 40630-06-6
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• Hs Code.: 2918300090
• European Community (EC) Number: 885-789-7
• Nikkaji Number: J1.157.346K
• Mol file: 40630-06-6.mol

Synonyms:methyl 4-methyl-5-oxopentanoate;40630-06-6;methyl 4-formylpentanoate;Pentanoic acid, 4-methyl-5-oxo-, methyl ester;SCHEMBL121191;BNMZOZSVBKIOIW-UHFFFAOYSA-N;4-Formylpentanoic acid methyl ester;4-Methyl-5-oxopentanoic acid methyl ester;4-methyl-5-oxo-pentanoic acid methyl ester;EN300-1588306

Chemical Property of Methyl 4-methyl-5-oxopentanoate

Chemical Property:

• Vapor Pressure: 0.303mmHg at 25°C
• Boiling Point: 201.761oC at 760 mmHg
• Flash Point: 78.339oC
• PSA: 43.37000
• Density: 0.992g/cm3
• LogP: 0.77460
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)OC)C=O

Technology Process of Methyl 4-methyl-5-oxopentanoate

There total 5 articles about Methyl 4-methyl-5-oxopentanoate 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:

methyl (E)-pent-3-enoate (818-58-6) + carbon monoxide (201230-82-2) → methyl valerate (624-24-8) + methyl 4-formylvalerate (40630-06-6) + 3-formyl-methylpentenoate (40630-07-7) + methyl 2-formylvalerate (121955-43-9)

Guidance literature:

With hydrogen; acetylacetonatodicarbonylrhodium(l); In toluene; at 110 ℃; for 3h; under 7500.6 Torr; Further Variations:; Reagents; Solvents; Product distribution;

DOI:10.1006/jcat.1999.2569

Reference yield:

methyl (E)-pent-3-enoate (818-58-6) + carbon monoxide (201230-82-2) → methyl 6-oxohexanoate (6654-36-0) + methyl valerate (624-24-8) + methyl 4-formylvalerate (40630-06-6) + 3-formyl-methylpentenoate (40630-07-7) + methyl 2-formylvalerate (121955-43-9)

Guidance literature:

With hydrogen; tin(ll) chloride; (2,8-Me₂-4,6-(PPh₂)2-phenoxantiin)PtCl₂; In dichloromethane; at 120 ℃; for 16h; under 18751.5 Torr; Product distribution; further catalysts; influence of syngas pressure and reaction temperature;

DOI:10.1016/S0022-328X(97)00396-3

Reference yield:

Methyl 4-pentenoate (818-57-5) + carbon monoxide (201230-82-2) → methyl 6-oxohexanoate (6654-36-0) + methyl 4-formylvalerate (40630-06-6)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 6A-deoxy-6A-diphenylphosphinyl-2A,2B,2C,2D,2E,2F,2G,3A,3B,3C,3D,3E,3F,3G,6B,6C,6D,6E,6F,6G-eicosa-O-methyl-β-cyclodextrin; hydrogen; In water; at 60 ℃; for 4h; under 760.051 Torr;

DOI:10.1002/chem.201000379

upstream raw materials:

methyl (E)-pent-3-enoate

carbon monoxide

methyl but-3-enoate

Methyl 4-pentenoate

Downstream raw materials:

(3R,8R,8aS)-8-methyl-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

(3R,8S,8aR)-8-methyl-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

C₁₇H₂₈N₂O₂S

C₂₄H₂₈N₂O₅S