2-Propylbenzoic acid

Base Information

• Chemical Name: 2-Propylbenzoic acid
• CAS No.: 2438-03-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID20557642
• Nikkaji Number: J134.402A
• Wikidata: Q82439604
• Mol file: 2438-03-1.mol

Synonyms:2-PROPYLBENZOIC ACID;2438-03-1;2-Propylbenzoicacid;2- propylbenzoic acid;2-Propyl-benzoesaure;SCHEMBL241263;DTXSID20557642;GADSJKKDLMALGL-UHFFFAOYSA-N;CAA43803;AKOS022636807;CS-0258613;EN300-706119;Z1255462246

Chemical Property of 2-Propylbenzoic acid

Chemical Property:

• Melting Point: 58°C
• Refractive Index: 1.5232 (estimate)
• Boiling Point: 288.61°C (estimate)
• PKA: 4.15±0.36(Predicted)
• PSA: 37.30000
• Density: 1.0020
• LogP: 2.33730
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

95% ^*data from raw suppliers

2-propylbenzoicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=CC=C1C(=O)O

Technology Process of 2-Propylbenzoic acid

There total 22 articles about 2-Propylbenzoic 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: 100.0%

ortho-methylbenzoic acid (118-90-1) + ethyl iodide (75-03-6) → 2-(n-Propyl)-benzoesaeure (2438-03-1)

Guidance literature:

ortho-methylbenzoic acid; With sec.-butyllithium; In tetrahydrofuran; 1-hexene; cyclohexane; at -78 - 20 ℃;

ethyl iodide; In tetrahydrofuran; 1-hexene; cyclohexane; at -78 - 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran; cyclohexane;

Reference yield: 97.0%

2-(n-Propyl)-benzoesaeuremethylester (1041642-22-1) → 2-(n-Propyl)-benzoesaeure (2438-03-1)

Guidance literature:

With methanol; water; sodium hydroxide; at 20 ℃; for 16h;

Reference yield:

1-isopropyl-4-propyl-benzene (22975-62-8) + nitric acid (7697-37-2,78989-43-2) → terephthalic acid (100-21-0) + 2-(n-Propyl)-benzoesaeure (2438-03-1)

Guidance literature:

upstream raw materials:

3-ethylphthalide

ortho-methylbenzoic acid

ethyl iodide

bromobenzene

Downstream raw materials:

C₂₁H₂₂N₂O₅

C₁₁H₁₃NO₄

Refernces

• 1、 Zhang, Bao,Yang, Xiaojing,Li, Jun,Cheng, Gang. "Selective aerobic oxidation of alkyl aromatics on Bi2MoO6 nanoplates decorated with Pt nanoparticles under visible light irradiation". supporting information. p. 12194 - 12197. Retrieved 2018/11/21.
• 2、 -. "METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS". Page/Page column 38. . Retrieved 2016/06/28.