Benzoyl chloride, 2-ethyl- (9CI)

Base Information

• Chemical Name: Benzoyl chloride, 2-ethyl- (9CI)
• CAS No.: 76118-05-3
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• Hs Code.: 2916399090
• Mol file: 76118-05-3.mol

Synonyms:Benzoylchloride, o-ethyl- (6CI,7CI); 2-Ethylbenzoyl chloride

Chemical Property of Benzoyl chloride, 2-ethyl- (9CI)

Chemical Property:

• Refractive Index: n20/D1.545
• Boiling Point: 95-97 °C(Press: 10 Torr)
• PSA: 17.07000
• Density: 1.127 g/mL at 25 °C
• LogP: 2.62800

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Ethylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoyl chloride, 2-ethyl- (9CI)

There total 10 articles about Benzoyl chloride, 2-ethyl- (9CI) 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-ethylbenzoic acid (612-19-1) → 2-ethylbenzoyl chloride (76118-05-3)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo01213a001

Reference yield:

ortho-ethylaniline (578-54-1) → 2-ethylbenzoyl chloride (76118-05-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1) aq. HCl, aq. NaNO₂ / 2) CuSO₄*8H₂O, aq. NH₃ / 1) 0 deg C to 5 deg C, 2) r.t., 15 h

2: 84 percent / KOH / ethane-1,2-diol / 6.5 h / 170 °C

3: SOCl₂, DMF

With hydrogenchloride; potassium hydroxide; thionyl chloride; N,N-dimethyl-formamide; sodium nitrite; ammonium hydroxide; copper(II) sulfate; In ethylene glycol;

Reference yield:

1-(2-ethylphenyl)ethanone (2142-64-5) → 2-ethylbenzoyl chloride (76118-05-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1039/d0cc04636a

upstream raw materials:

2-ethylbenzoic acid

ortho-methylbenzoic acid

o-ethylbenzonitrile

ortho-ethylaniline

Downstream raw materials:

2-Ethyl-benzoic acid 1-methyl-piperidin-4-yl ester; hydrochloride

dimethyl 2-ethylbenzoylphosphonate

1,2-bis-(2-ethyl-phenyl)-1,2-diphenyl-ethane-1,2-diol

o-ethylbenzonitrile

Refernces

• 1、 Nozawa-Kumada, Kanako,Matsuzawa, Yuta,Ono, Kanako,Shigeno, Masanori,Kondo, Yoshinori. "Copper-catalyzed aerobic double functionalization of benzylic C(sp3)-H bonds for the synthesis of 3-hydroxyisoindolinones". supporting information. p. 8604 - 8607. Retrieved 2021/09/02.
• 2、 Li, Xiaoxun,Liu, Jitian,Tang, Weiping,Wang, Shuojin,Ye, Wenjing,Zheng, Junrong. "Synthesis of Lactams via Ir-Catalyzed C-H Amidation Involving Ir-Nitrene Intermediates". supporting information. . Retrieved 2020/03/19.