2-Chlorooctanal

Base Information

• Chemical Name: 2-Chlorooctanal
• CAS No.: 20334-54-7
• Molecular Formula: C8H15ClO
• Molecular Weight: 162.66
• DSSTox Substance ID: DTXSID50512921
• Nikkaji Number: J665.962D
• Mol file: 20334-54-7.mol

Synonyms:2-CHLOROOCTANAL;20334-54-7;Octanal, 2-chloro-;alpha-chloro octanal;SCHEMBL3434441;DTXSID50512921;AKOS040732108;F9994-5485

Chemical Property of 2-Chlorooctanal

Chemical Property:

• Boiling Point: 104-106 °C(Press: 10 Torr)
• PSA: 17.07000
• Density: 0.958±0.06 g/cm3(Predicted)
• LogP: 2.76310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 162.0811428
• Heavy Atom Count: 10
• Complexity: 83.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C=O)Cl

Technology Process of 2-Chlorooctanal

There total 1 articles about 2-Chlorooctanal 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: 6.0%

(Z)-oct-1-enyl(trimethyl)silane (57365-48-7) → 1-chloro-2-octanone (63988-10-3) + 2-chloro-octanal (20334-54-7)

Guidance literature:

With iron(III) chloride; In pyridine; Irradiation;

DOI:10.1246/bcsj.56.285

Reference yield: 89.0%

2-chloro-octanal (20334-54-7) + benzylbenzoyl-carbodithioate (121610-91-1) → 5-(benzylthio)-3-hexyl-6-phenyl-1,4-oxathiin-2(3H)-one

Guidance literature:

With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; potassium acetate; In toluene; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201700601

Reference yield: 87.0%

1-Phenyl-3-p-toluolsulfonyl-propen-(2)-on-(1) (21440-46-0) + 2-chloro-octanal (20334-54-7) → 3-hexyl-6-phenyl-2H-pyran-2-one

Guidance literature:

With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; caesium carbonate; In dichloromethane; at 20 ℃; for 12h; regioselective reaction; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.202100760

upstream raw materials:

(Z)-oct-1-enyl(trimethyl)silane

Downstream raw materials:

1-(benzoyloxy)octan-2-one

Benzoic acid 1-formyl-heptyl ester

ethyl (2E,4Z)-2,4-decadienoate

ethyl 2E,4E-decadienoate