4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic acid
• CAS No.: 33446-14-9
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40390356
• Wikidata: Q82186984
• Mol file: 33446-14-9.mol

Synonyms:33446-14-9;4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid;4-(4-Methoxy-3-methyl-phenyl)-4-oxo-butyric acid;4-(4-METHOXY-3-METHYLPHENYL)-4-OXOBUTYRIC ACID;MFCD07186514;SCHEMBL5495178;DTXSID40390356;BBL030724;STK522429;AKOS000302189;AB10281;VS-09999;2-methoxy-5-(3'-carboxy-1-oxopropyl)-toluene;beta-(4-methoxy-3-methylbenzoyl)propionic acid;2-methoxy-5-(3'-carboxy-1'-oxopropyl)-toluene;4-(4-methoxy-3-methylphenyl)-4-oxobutanoicacid;4-(4-Methoxy-3-methyl-phenyl)-4-oxo-butyricacid;SR-01000368692;SR-01000368692-1;Benzenebutanoic acid, 4-methoxy-3-methyl-.gamma.-oxo-

Chemical Property of 4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 3.4E-08mmHg at 25°C
• Boiling Point: 431°C at 760 mmHg
• Flash Point: 168.5°C
• PSA: 63.60000
• Density: 1.176g/cm³
• LogP: 2.05110
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Methoxy-3-methylphenyl)-4-oxobutyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)CCC(=O)O)OC

Technology Process of 4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic acid

There total 5 articles about 4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic 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: 93.0%

succinic acid anhydride (108-30-5) + 2-methylmethoxybenzene (578-58-5) → 4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid (33446-14-9)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 12h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88544-6

Reference yield:

succinic acid anhydride (108-30-5) + 2-methylmethoxybenzene (578-58-5) + 1,1,2,2-tetrachloroethane (79-34-5) → 4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid (33446-14-9)

Guidance literature:

With hydrogenchloride; sodium carbonate; AlCl₃; In dichloromethane; water;

Reference yield:

4-(4-methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester (2954-68-9) → 4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid (33446-14-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h; Ambient temperature;

DOI:10.1021/jm00016a020

upstream raw materials:

succinic acid anhydride

2-methylmethoxybenzene

4-(4-methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester

1,1,2,2-tetrachloroethane

Downstream raw materials:

C₁₈H₁₆N₂O₂

C₁₈H₁₈N₂O₂

4-(4-chlorobenzyl)-2-(4-methoxy-3-methylphenyl)-10-oxo-pyridazino[3,2-b]quinazoline

3-benzylamino-4-(4-chlorobenzyl)-6-(4-methoxy-3-methylphenyl)-pyridazine

Refernces

• 1、 Soliman, Mohamed H.A.,El-Sakka, Sahar S.. "Synthesis of Some New 4,5-dihydro-6-(4-methoxy-3-methylphenyl)-3(2H)- pyridazinone Derivatives". body text. p. 230 - 234. Retrieved 2011/06/26.
• 2、 Ferraz, Helena M.C.,Bianco, Graziela G.,Teixeira, Carla C.,Andrade, Leandro H.,Porto, Andre L.M.. "Enzymatic resolution of α-tetralols by CALB-catalyzed acetylation". . p. 1070 - 1076. Retrieved 2008/02/08.