2-Chloro-4-methylbenzaldehyde

Base Information

• Chemical Name: 2-Chloro-4-methylbenzaldehyde
• CAS No.: 50817-80-6
• Molecular Formula: C8H7OCl
• Molecular Weight: 154.596
• Hs Code.: 2913000090
• European Community (EC) Number: 803-880-1
• DSSTox Substance ID: DTXSID80543647
• Wikidata: Q72453632
• Mol file: 50817-80-6.mol

Synonyms:2-Chloro-4-methylbenzaldehyde;50817-80-6;2-Chloro-4-methyl-benzaldehyde;Benzaldehyde, 2-chloro-4-methyl-;MFCD10703515;SCHEMBL4268830;DTXSID80543647;OSPMNRDGMUPWNO-UHFFFAOYSA-N;CL8268;GEO-00706;2-Chloro-4-methylbenzaldehyde, 97%;AKOS005257241;AM84034;CS-W010930;DS-15820;SY020686;A7526;EN300-101626;W-200399;F2191-0144;Z1198280103

Chemical Property of 2-Chloro-4-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0521mmHg at 25°C
• Melting Point: 27-30°C
• Refractive Index: 1.574
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 105.8 °C
• PSA: 17.07000
• Density: 1.195 g/cm³
• LogP: 2.46090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.0185425
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

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

2-Chloro-4-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41-51
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C=O)Cl

Technology Process of 2-Chloro-4-methylbenzaldehyde

There total 6 articles about 2-Chloro-4-methylbenzaldehyde 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: 96.0%

(2-chloro-4-methylphenyl)methanol (39652-31-8) → 2-chloro-4-methyl-benzaldehyde (50817-80-6)

Guidance literature:

With 2-Picolinic acid; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; manganese (II) nitrate tetrahydrate; acetic acid; at 25 ℃; for 3h; Reagent/catalyst;

DOI:10.1002/cctc.201700710

Reference yield: 94.0%

1-bromo-2-chloro-4-methylbenzene (6627-51-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-4-methyl-benzaldehyde (50817-80-6)

Guidance literature:

1-bromo-2-chloro-4-methylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -88 ℃; for 1.5h; Inert atmosphere; Schlenk technique; Glovebox;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; Inert atmosphere; Schlenk technique; Glovebox;

Reference yield: 52.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-chloro-4-methyl-benzenamine (615-65-6) → 2-chloro-4-methyl-benzaldehyde (50817-80-6)

Guidance literature:

2-chloro-4-methyl-benzenamine; With hydrogenchloride; sodium acetate; copper(II) sulfate; sodium sulfite; sodium nitrite; In water; at 0 ℃;

formaldehyd; With hydroxylamine hydrochloride; sodium acetate; In water;

With hydrogenchloride; In water; Reflux;

DOI:10.1016/j.bmc.2011.04.050

upstream raw materials:

4-methyl-pent-3-en-2-one

N,N-dimethyl-formamide

carbon monoxide

1-chloro-3-methylbenzene

Downstream raw materials:

N-<(2-chloro-4-methylphenyl)methylene>benzamine

(E)-3-(2-Chloro-4-methyl-phenyl)-1-naphthalen-2-yl-propenone

3-chloro-4-(trichlorovinyl)toluene

methyl 1-[3-chloro-4-(1-methoxy-1-oxopropan-2-yl)-benzyl]-2-oxocyclopentanecarboxylate

Refernces

• 1、 Lagerblom, Kalle,Lagerspets, Emi,Keskiv?li, Juha,Cook, Chris,Ekholm, Filip,Parviainen, Arno,Repo, Timo. "Practical Aerobic Oxidation of Alcohols: A Ligand-Enhanced 2,2,6,6-Tetramethylpiperidine-1-oxy/Manganese Nitrate Catalyst System". . p. 3880 - 3887. Retrieved 2017/09/28.
• 2、 -. "LOXOPROFEN DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME". Page/Page column 3-4. . Retrieved 2012/02/01.