Benzoic acid, 2-butyl-

Base Information

• Chemical Name: Benzoic acid, 2-butyl-
• CAS No.: 54887-23-9
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Mol file: 54887-23-9.mol

Synonyms:butyl benzoic acid;2-(n-butyl)benzoic acid;2-n-butylbenzoic acid;2-(n-Butyl)-benzoesaeure;2-Butyl-benzoic acid;2-Butyl-benzoesaeure;

Chemical Property of Benzoic acid, 2-butyl-

Chemical Property:

• Melting Point: 36-38 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 291.2±9.0 °C(Predicted)
• PSA: 37.30000
• Density: 1.062±0.06 g/cm3(Predicted)
• LogP: 2.72740

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2-butyl-

There total 20 articles about Benzoic acid, 2-butyl- 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: 89.0%

ortho-methylbenzoic acid (118-90-1) + 1-iodo-propane (107-08-4) → 2-butylbenzoic acid (54887-23-9)

Guidance literature:

With sec.-butyllithium; In cyclohexane; for 15h; Ambient temperature;

Reference yield: 74.0%

2-(2-Butylphenyl)-4,4-dimethyl-2-oxazoline (57629-47-7) → 2-butylbenzoic acid (54887-23-9)

Guidance literature:

With hydrogenchloride; for 24h; Heating;

Reference yield: 51.0%

butyltrifluoro-λ4-borane potassium salt (444343-55-9) + benzoic acid (65-85-0,8013-63-6) → 2-butylbenzoic acid (54887-23-9) + 2,6-di(n-butyl)benzoic acid

Guidance literature:

With N-acetyl-L-valine; palladium diacetate; lithium carbonate; N,N-dimethyl-formamide; silver carbonate; In tert-butyl alcohol; at 110 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja409014v

upstream raw materials:

2-(n-Butyl)-benzoesaeuremethylester

n-butyl magnesium bromide

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

butyrophenone-o-carboxylic acid

Downstream raw materials:

2-(n-Butyl)-benzoesaeuremethylester

(S)-N-(1-azabicyclo[2.2.2]oct-3-yl)-2-butylbenzamide

2-n-Butylphenyl-diazomethan

2-butylbenzaldehyde

Refernces

• 1、 -. "Inclusion complex containing epoxy resin composition for semiconductor encapsulation". . . Retrieved 2014/03/21.
• 2、 Wang, Haibo,Liu, Jing,Deng, Yi,Min, Tianyin,Yu, Ganxiang,Wu, Xiaojun,Yang, Zhen,Lei, Aiwen. "Pincer thioamide and pincer thioimide palladium complexes catalyze highly efficient negishi coupling of primary and secondary alkyl zinc reagents at room temperature". supporting information; experimental part. p. 1499 - 1507. Retrieved 2009/08/07.