5-Chloro-2-methylbenzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-methylbenzaldehyde
• CAS No.: 58966-34-0
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID60492927
• Wikidata: Q72453636
• Mol file: 58966-34-0.mol

Synonyms:5-chloro-2-methylbenzaldehyde;58966-34-0;5-CHLORO-2-METHYL-BENZALDEHYDE;Benzaldehyde, 5-chloro-2-methyl-;2-methyl-5-chlorobenzaldehyde;SCHEMBL692253;DTXSID60492927;DDYTVUGYXUWXGN-UHFFFAOYSA-N;AMY28083;CK2094;MFCD11111042;AKOS000276580;AB63586;AS-18815;SY102295;CS-0061327;FT-0701080;EN300-57013;A869312;F2150-0019;Z871801780

Chemical Property of 5-Chloro-2-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0581mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 232.7oC at 760 mmHg
• Flash Point: 105oC
• PSA: 17.07000
• Density: 1.195g/cm3
• LogP: 2.46090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Chloro-2-methylbenzaldehyde

There total 9 articles about 5-Chloro-2-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: 94.0%

4-chloro-2-iodotoluene (33184-48-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-2-methylbenzaldehyde (58966-34-0)

Guidance literature:

4-chloro-2-iodotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 4h;

Reference yield: 86.0%

2-bromo-4-chloro-1-methyl-benzene (27139-97-5) + N,N-dimethylbenzamide (611-74-5) → 5-chloro-2-methylbenzaldehyde (58966-34-0)

Guidance literature:

2-bromo-4-chloro-1-methyl-benzene; With iodine; magnesium; In tetrahydrofuran; Inert atmosphere;

N,N-dimethylbenzamide; In tetrahydrofuran; Inert atmosphere;

Reference yield: 69.0%

2-bromo-4-chloro-1-methyl-benzene (27139-97-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-2-methylbenzaldehyde (58966-34-0)

Guidance literature:

2-bromo-4-chloro-1-methyl-benzene; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexanes; at 20 ℃; for 4h;

upstream raw materials:

(4-Chloro-benzyl)-dimethyl-phenylsulfanylmethyl-ammonium; chloride

1-Chloro-4-(chloromethyl)benzene

Dichloromethyl methyl ether

para-chlorotoluene

Downstream raw materials:

C₁₉H₂₀ClIO₃

ethyl 3-{(R)-(5-chloro-2-methylphenyl)[(2-{{[(1,1-dimethylethyl)oxy]carbonyl}[(methyloxy)carbonyl]amino}ethyl)oxy]methyl}benzoate

ethyl 3-{(5-chloro-2-methylphenyl)[(2-{{[(1,1-dimethylethyl)oxy]carbonyl}[(methyloxy)carbonyl]amino}ethyl)oxy]methyl}benzoate

ethyl 3-{(R)-(5-chloro-2-methylphenyl)[(2-{[(methyloxy)carbonyl]amino}ethyl)oxy]methyl}benzoate