Benzoyl chloride, 2-chloro-6-methyl- (9CI)

Base Information

• Chemical Name: Benzoyl chloride, 2-chloro-6-methyl- (9CI)
• CAS No.: 89894-44-0
• Molecular Formula: C8H6 Cl2 O
• Molecular Weight: 189.041
• Hs Code.: 2916399090
• Mol file: 89894-44-0.mol

Synonyms:o-Toluoylchloride, 6-chloro- (6CI,7CI); 2-Chloro-6-methylbenzoyl chloride

Chemical Property of Benzoyl chloride, 2-chloro-6-methyl- (9CI)

Chemical Property:

• Boiling Point: 114-116 °C(Press: 16 Torr)
• PSA: 17.07000
• Density: 1.312±0.06 g/cm3(Predicted)
• LogP: 3.02740

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-methylbenzoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoyl chloride, 2-chloro-6-methyl- (9CI)

There total 13 articles about Benzoyl chloride, 2-chloro-6-methyl- (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: 100.0%

2-chloro-6-methylbenzoic acid (21327-86-6) → 2-chloro-6-methylbenzoyl chloride (89894-44-0)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

ortho-chlorobenzoic acid (118-91-2) → 2-chloro-6-methylbenzoyl chloride (89894-44-0)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2.08333h; under 760.051 Torr;

Reference yield:

1-chloro-2-iodo-3-methylbenzene (5100-98-1) → 2-chloro-6-methylbenzoyl chloride (89894-44-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate; bis-triphenylphosphine-palladium(II) chloride / 8 h / 140 °C / 30003 Torr / Inert atmosphere; Autoclave

2: sodium hydroxide; water / 21 h / Reflux

3: oxalyl dichloride / N,N-dimethyl-formamide; toluene / 1 h / 17 °C

With bis-triphenylphosphine-palladium(II) chloride; oxalyl dichloride; water; sodium hydrogencarbonate; sodium hydroxide; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/op0102363

upstream raw materials:

2-chloro-6-methylbenzoic acid

2-chloro-6-methyl-benzonitrile

2-chloro-6-methylbenzamide

2-chloro-6-methylaniline

Downstream raw materials:

methyl 2-chloro-6-methylbenzoate

N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine 1-(acetoxy)ethyl ester

N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl)-L-phenylalanine

N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine 2-(4-morpholino)ethyl ester