3-(2,3-Dimethylphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2,3-Dimethylphenyl)propanoic acid
• CAS No.: 25173-73-3
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID601299935
• Mol file: 25173-73-3.mol

Synonyms:3-(2,3-dimethylphenyl)propanoic acid;25173-73-3;dimethylbenzenepropanoic acid;SCHEMBL1450886;2,3-Dimethylbenzenepropanoic acid;DTXSID601299935;3-(2,3-dimethylphenyl)propanoicacid;AKOS005217146;CS-0345905;EN300-1843585

Chemical Property of 3-(2,3-Dimethylphenyl)propanoic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(2,3-Dimethylphenyl)propanoic acid

There total 8 articles about 3-(2,3-Dimethylphenyl)propanoic 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:

2,3-dimethylbenzaldehyde (5779-93-1) → 3-(2,3-Dimethylphenyl)-propansaeure (25173-73-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90.7 percent / pyridine, piperidine / 48 h / 80 °C

2: 95.8 percent / H₂ / 10percent Pd/C / dioxane / 517.1 - 1551.4 Torr

With piperidine; pyridine; hydrogen; palladium on activated charcoal; In 1,4-dioxane;

DOI:10.1007/BF00807400

Reference yield:

2,3-Dimethylaniline (87-59-2) → 3-(2,3-Dimethylphenyl)-propansaeure (25173-73-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 40 percent / HBr / diazotization

2: 1.) Mg / 1.) ether, 2.) ether, reflux, 2 h; room temp., overnight

3: 98.5 percent / LiAlH₄ / diethyl ether / 1.) reflux, 3 h, 2.) room temp., overnight

4: 80.1 percent / PCC / CH₂Cl₂ / 2 h / Ambient temperature

5: 90.7 percent / pyridine, piperidine / 48 h / 80 °C

6: 95.8 percent / H₂ / 10percent Pd/C / dioxane / 517.1 - 1551.4 Torr

With piperidine; pyridine; lithium aluminium tetrahydride; hydrogen bromide; hydrogen; magnesium; pyridinium chlorochromate; palladium on activated charcoal; In 1,4-dioxane; diethyl ether; dichloromethane;

DOI:10.1007/BF00807400

Reference yield:

(2,3-dimethylphenyl)methanol (13651-14-4) → 3-(2,3-Dimethylphenyl)-propansaeure (25173-73-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 80.1 percent / PCC / CH₂Cl₂ / 2 h / Ambient temperature

2: 90.7 percent / pyridine, piperidine / 48 h / 80 °C

3: 95.8 percent / H₂ / 10percent Pd/C / dioxane / 517.1 - 1551.4 Torr

With piperidine; pyridine; hydrogen; pyridinium chlorochromate; palladium on activated charcoal; In 1,4-dioxane; dichloromethane;

DOI:10.1007/BF00807400

upstream raw materials:

methyl 2,3-dimethylbenzoate

2,3-dimethylbromobenzene

2,3-dimethylbenzaldehyde

(2,3-dimethylphenyl)methanol

Downstream raw materials:

4,5-Dimethyl-indan-1-on

6,7-dimethyl-1H-indene

Refernces

• 1、 Bartmann,Konz,Ruger. "Synthesis of di- and tetraalkyl-3-piperazinoisoquinolines and related compounds as potential antidepressant agents". . p. 677 - 682. Retrieved 2007/10/02.