4-(3-Methoxyphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(3-Methoxyphenyl)-4-oxobutanoic acid
• CAS No.: 38102-67-9
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• European Community (EC) Number: 675-379-4
• DSSTox Substance ID: DTXSID70374881
• Wikidata: Q82163456
• Mol file: 38102-67-9.mol

Synonyms:4-(3-methoxyphenyl)-4-oxobutanoic acid;38102-67-9;4-(3-Methoxyphenyl)-4-oxobutyric acid;MFCD01311622;4-(3-methoxy-phenyl)-4-oxo-butyric acid;Oprea1_823562;SCHEMBL4722288;DTXSID70374881;BBL002816;STK378585;4-(3-Methoxyphenyl)-4-oxobutyricacid;AKOS005448691;VS-01227;CS-0317918

Chemical Property of 4-(3-Methoxyphenyl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 8.13E-07mmHg at 25°C
• Melting Point: 105-107°C
• Boiling Point: 391°C at 760 mmHg
• Flash Point: 154.8°C
• PSA: 63.60000
• Density: 1.206g/cm³
• LogP: 1.74270
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-(3-methoxyphenyl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)CCC(=O)O

Technology Process of 4-(3-Methoxyphenyl)-4-oxobutanoic acid

There total 9 articles about 4-(3-Methoxyphenyl)-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:

ethyl bromoacetate (105-36-2) → 4-(3-methoxy-phenyl)-4-oxo-butyric acid (38102-67-9)

Guidance literature:

ethyl (3-methoxybenzoyl)acetate; With sodium hydride; In tetrahydrofuran; for 0.333333h;

ethyl bromoacetate; In tetrahydrofuran; for 5h;

With water; In tetrahydrofuran; methanol; for 2h;

Reference yield:

4-(3-nitro-phenyl)-4-oxo-butyric acid (6328-00-3) → 4-(3-methoxy-phenyl)-4-oxo-butyric acid (38102-67-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydrogensulfide

2: aqueous sulfuric acid / Diazotization

3: aq. NaOH solution / anschliessendes Erhitzen

With sodium hydroxide; ammonium hydrosulphide; sulfuric acid;

DOI:10.1021/ja01299a038

Reference yield:

succinylbenzene (2051-95-8) → 4-(3-methoxy-phenyl)-4-oxo-butyric acid (38102-67-9)

Guidance literature:

Multi-step reaction with 4 steps

1: sulfuric acid; nitric acid / <0

2: ammonium hydrogensulfide

3: aqueous sulfuric acid / Diazotization

4: aq. NaOH solution / anschliessendes Erhitzen

With sodium hydroxide; ammonium hydrosulphide; sulfuric acid; nitric acid;

DOI:10.1021/ja01299a038

upstream raw materials:

diethyl acetylsuccinate

4-oxo-4-(3-methoxyphenyl)butanenitrile

4-(3-hydroxy-phenyl)-4-oxo-butyric acid

dimethyl sulfate

Downstream raw materials:

4-(m-methoxyphenyl)butanoic acid

(3-methoxy-phenacyl)-succinic acid

4-(4-fluoro-benzyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-3,4-dihydro-1(2H)-naphthalenone