Benzoic acid, 2-pentyl-

Base Information

• Chemical Name: Benzoic acid, 2-pentyl-
• CAS No.: 26311-42-2
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Mol file: 26311-42-2.mol

Synonyms:2-Pentyl-benzoic acid;2-pentylbenzoic acid;

Chemical Property of Benzoic acid, 2-pentyl-

Chemical Property:

• PSA: 37.30000
• LogP: 3.11750

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 2-pentyl-

There total 17 articles about Benzoic acid, 2-pentyl- 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: 85.0%

butylphthalide (3413-15-8,6066-49-5,93133-67-6,125412-70-6) → 2-n-pentylbenzoic acid (26311-42-2)

Guidance literature:

butylphthalide; With hafnium tetrakis(trifluoromethanesulfonate); palladium on activated carbon; hydrogen; In ethyl acetate; at 70 ℃; for 12h; under 760.051 Torr; Schlenk technique;

With potassium hydroxide; In ethyl acetate; at 80 ℃; for 6h; Schlenk technique;

DOI:10.1021/acs.orglett.9b02673

Reference yield:

methyl o-formylbenzoate (4122-56-9) → 2-n-pentylbenzoic acid (26311-42-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 30 min, 2.) HMPA, room temperature, 15 min; 0 deg C, 30 min

2: H₂ / Pd-C / methanol

3: 88 percent / diisobutylaluminium hydride / toluene / 1.) -78 deg C, 5 min, 2.) 0 deg C, 20 min

4: 65 percent / DMSO, oxalyl chloride / CH₂Cl₂ / 0.5 h / -78 °C

5: Jones reagent / acetone / 0.5 h / Ambient temperature

With n-butyllithium; jones reagent; oxalyl dichloride; hydrogen; diisobutylaluminium hydride; dimethyl sulfoxide; palladium on activated charcoal; In methanol; dichloromethane; acetone; toluene;

DOI:10.1021/jm00396a013

Reference yield:

((E)-2-Pent-1-enyl)-benzoic acid methyl ester (110683-65-3) → 2-n-pentylbenzoic acid (26311-42-2)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂ / Pd-C / methanol

2: 88 percent / diisobutylaluminium hydride / toluene / 1.) -78 deg C, 5 min, 2.) 0 deg C, 20 min

3: 65 percent / DMSO, oxalyl chloride / CH₂Cl₂ / 0.5 h / -78 °C

4: Jones reagent / acetone / 0.5 h / Ambient temperature

With jones reagent; oxalyl dichloride; hydrogen; diisobutylaluminium hydride; dimethyl sulfoxide; palladium on activated charcoal; In methanol; dichloromethane; acetone; toluene;

DOI:10.1021/jm00396a013

upstream raw materials:

1-(2-Cyan-phenyl)-pentanon-⁽³⁾

2-Amyl-benzamid

2-n-pentylbenzaldehyde

ortho-methylbenzoic acid

Refernces

• 1、 Verma, Ajay,Patel, Saket,Meenakshi,Kumar, Amit,Yadav, Abhimanyu,Kumar, Shailesh,Jana, Sadhan,Sharma, Shubham,Prasad, Ch. Durga,Kumar, Sangit. "Transition metal free intramolecular selective oxidative C(sp3)-N coupling: Synthesis of N-aryl-isoindolinones from 2-alkylbenzamides". supporting information. p. 1371 - 1374. Retrieved 2015/02/18.
• 2、 VanAtten, Mary K.,Ensinger, Carol L.,Chiu, Andrew T.,McCall, Dale E.,Nguyen, Tam T.,et al.. "A Novel Series of Selective, Non-Peptide Inhibitors of Angiotensin II Binding to the AT2 Site". . p. 3985 - 3992. Retrieved 2007/10/02.