Benzenebutanoyl chloride, 4-methyl-

Base Information

• Chemical Name: Benzenebutanoyl chloride, 4-methyl-
• CAS No.: 160699-02-5
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Mol file: 160699-02-5.mol

Synonyms:4-(4-methylphenyl)butyryl chloride;4-p-Tolyl-butyrylchlorid;4-p-tolyl-butyryl chloride;4-(4-methylphenyl)butyric chloride;

Chemical Property of Benzenebutanoyl chloride, 4-methyl-

Chemical Property:

• Boiling Point: 282.4±19.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.092±0.06 g/cm3(Predicted)
• LogP: 3.08310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenebutanoyl chloride, 4-methyl-

There total 1 articles about Benzenebutanoyl chloride, 4-methyl- 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:

4-(4-methylphenyl)butyric acid (4521-22-6) → 4-(4-methylphenyl)butanoyl chloride (160699-02-5)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19320150195

Reference yield: 89.4%

methyl (2R,4R)-2-tert-butyl-4-methyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-1,3-oxazolidine-3-carboxylate + 4-(4-methylphenyl)butanoyl chloride (160699-02-5) → methyl (2R,4R)-2-t-butyl-4-methyl-4-(2-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-1H-pyrrol-2-yl}ethyl)-1,3-oxazolidine-3-carboxylate

Guidance literature:

In methyl cyclohexane; for 4h; Reflux;

Reference yield: 88.6%

methyl (2R,4R)-2-tert-butyl-4-methyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-1,3-oxazolidine-3-carboxylate + 4-(4-methylphenyl)butanoyl chloride (160699-02-5) → (4R)-4-methyl-4-(2-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-1H-pyrrol-2-yl}ethyl)-1,3-oxazolidin-2-one (1378964-52-3)

Guidance literature:

methyl (2R,4R)-2-tert-butyl-4-methyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-1,3-oxazolidine-3-carboxylate; 4-(4-methylphenyl)butanoyl chloride; for 8h; under 337.534 - 412.541 Torr; Inert atmosphere; Reflux;

With hydrogenchloride; water; In methanol; at 50 ℃; for 2.5h; Inert atmosphere;

With water; sodium hydroxide; In methanol; at 50 ℃; for 1h; Inert atmosphere;

upstream raw materials:

4-(4-methylphenyl)butyric acid

Downstream raw materials:

2-hydroxy-3-(3-(4-tolyl)propyl)-1,4-naphthoquinone

7-methyl-3,4-dihydro-2H-naphthalen-1-one

7-methyl-naphthyl-1-acetic acid

6-methyl-1,2,3,4-tetrahydronaphthalene

Refernces

• 1、 Xing, Qi,Chan, Chun-Ming,Yeung, Yiu-Wai,Yu, Wing-Yiu. "Ruthenium(II)-Catalyzed Enantioselective ?-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-Ones". supporting information. . Retrieved 2019/03/11.
• 2、 Zhou, Zijun,Chen, Shuming,Hong, Yubiao,Winterling, Erik,Tan, Yuqi,Hemming, Marcel,Harms, Klaus,Houk,Meggers, Eric. "Non- C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)-H Amidation". supporting information. p. 19048 - 19057. Retrieved 2019/12/04.