BETA-METHYLLEVULINIC ACID

Base Information

• Chemical Name: BETA-METHYLLEVULINIC ACID
• CAS No.: 6628-79-1
• Molecular Formula: C6H10 O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• Mol file: 6628-79-1.mol

Synonyms:Levulinicacid, 3-methyl- (6CI,7CI,8CI); 3-Methyllevulinic acid; NSC 59715; b-Methyllevulinic acid

Chemical Property of BETA-METHYLLEVULINIC ACID

Chemical Property:

• Melting Point: 32°C
• Refractive Index: 1.4443
• Boiling Point: 242 °C
• PKA: 4.80±0.19(Predicted)
• Flash Point: 116.5oC
• PSA: 54.37000
• Density: 1.0932
• LogP: 0.68620

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Methyllevulinic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BETA-METHYLLEVULINIC ACID

There total 2 articles about BETA-METHYLLEVULINIC ACID 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:

hydrogenchloride (7647-01-0,15364-23-5) + chloroform (67-66-3,8013-54-5) + 2,3,4-trimethylcyclopent-2-en-1-one (28790-86-5) + dihydrogen peroxide (7722-84-1) + ozone (10028-15-6) → 3-methyllevulinic acid (6628-79-1) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

Reference yield:

3,4-dimethyl-2-phenylcyclopent-2-enone (78012-38-1) + ozone (10028-15-6) → 3-methyllevulinic acid (6628-79-1) + acetic acid (64-19-7,77671-22-8) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Erwaermen des Reaktionsprodukts mit Wasser auf 90grad;

Reference yield: 82.0%

3-methyllevulinic acid (6628-79-1) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → C14H17NO5S

Guidance literature:

With zinc trifluoromethanesulfonate; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201601432

upstream raw materials:

hydrogenchloride

chloroform

2,3,4-trimethylcyclopent-2-en-1-one

dihydrogen peroxide

Downstream raw materials:

methyl 3-methyl-4-oxopentanoate

3-aminobutyric acid

2,3-Dimethyl-5-oxo-tetrahydro-furan-2-carbonsaeure

2,3-dimethylthiophene