(2S)-2-(Benzyloxy)hexanal

Base Information

• Chemical Name: (2S)-2-(Benzyloxy)hexanal
• CAS No.: 87678-65-7
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID80499812
• Nikkaji Number: J453.985K
• Wikidata: Q82350927
• Mol file: 87678-65-7.mol

Synonyms:(2S)-2-(Benzyloxy)hexanal;87678-65-7;DTXSID80499812

Chemical Property of (2S)-2-(Benzyloxy)hexanal

Chemical Property:

• PSA: 26.30000
• LogP: 2.96090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C=O)OCC1=CC=CC=C1
• Isomeric SMILES: CCCC[C@@H](C=O)OCC1=CC=CC=C1

Technology Process of (2S)-2-(Benzyloxy)hexanal

There total 17 articles about (2S)-2-(Benzyloxy)hexanal 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: 86.0%

(S)-(+)-2-benzyloxyhexan-1-ol (87604-60-2) → (S)-(-)-2-benzyloxyhexanal (87678-65-7)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium carbonate; potassium bromide; In dichloromethane; water; at 0 - 25 ℃; for 1h; Inert atmosphere;

DOI:10.3390/molecules25020394

Reference yield:

(2R,3S)-3-O-benzylheptane-1,2,3-triol (87604-56-6) → (S)-(-)-2-benzyloxyhexanal (87678-65-7)

Guidance literature:

With lead(IV) acetate; In benzene; at 22 ℃; for 0.166667h; Yield given;

DOI:10.1016/S0040-4039(00)88039-9

Reference yield:

[(S)-2-Benzyloxy-hex-(Z)-ylidene]-[(S)-2-(1-ethyl-1-methoxy-propyl)-pyrrolidin-1-yl]-amine (118535-90-3) → (S)-2-(1-Ethyl-1-methoxy-propyl)-1-nitroso-pyrrolidine (118535-71-0) + (S)-(-)-2-benzyloxyhexanal (87678-65-7)

Guidance literature:

With ozone; In dichloromethane; at -78 ℃;

DOI:10.1016/S0040-4039(00)87901-0

upstream raw materials:

(2R,3S)-3-O-benzylheptane-1,2,3-triol

1,4-di-O-benzyl-octane-1,2,3,4-tetrol

[(S)-2-Benzyloxy-hex-(Z)-ylidene]-[(S)-2-(1-ethyl-1-methoxy-propyl)-pyrrolidin-1-yl]-amine

(S)-(+)-2-benzyloxyhexan-1-ol

Downstream raw materials:

(+) methyl (5S,6S)-6-benzyloxy-5-hydroxy-3-oxodecanoate

(S)-2-benzyloxyhexyl benzoate

(2S)-hexane-1,2-diol

((R)-1-Phenyl-ethyl)-carbamic acid (S)-2-benzyloxy-hexyl ester