(R)-4-Methylhex-5-enal

Base Information

• Chemical Name: (R)-4-Methylhex-5-enal
• CAS No.: 63215-85-0
• Molecular Formula: C7H12 O
• Molecular Weight: 112.172
• European Community (EC) Number: 264-000-4
• DSSTox Substance ID: DTXSID30979235
• Nikkaji Number: J327.016E
• Wikidata: Q82964809
• Mol file: 63215-85-0.mol

Synonyms:(R)-4-Methylhex-5-enal;63215-85-0;EINECS 264-000-4;DTXSID30979235;ONNBZNJCHJAMQS-ZETCQYMHSA-N;NS00088062

Chemical Property of (R)-4-Methylhex-5-enal

Chemical Property:

• Vapor Pressure: 5.97mmHg at 25°C
• Boiling Point: 141°C at 760 mmHg
• Flash Point: 27.7°C
• PSA: 17.07000
• Density: 0.819g/cm³
• LogP: 1.78760
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 76.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=O)C=C
• Isomeric SMILES: C[C@H](CCC=O)C=C

Technology Process of (R)-4-Methylhex-5-enal

There total 8 articles about (R)-4-Methylhex-5-enal 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: 90.0%

(R)-3,7-dimethyl-1,6-octadiene (10281-56-8) → (R)-4-methylhex-5-enal (63215-85-0)

Guidance literature:

(R)-3,7-dimethyl-1,6-octadiene; With 3-chloro-benzenecarboperoxoic acid; Inert atmosphere; Schlenk technique;

With periodic acid; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201403605

Reference yield:

(R)-2,2-dimethyl-3-(3-methylpent-4-en-1-yl)oxirane (203315-97-3) → (R)-4-methylhex-5-enal (63215-85-0)

Guidance literature:

With periodic acid; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)92448-2

Reference yield:

(3R)-3,7-dimethyloct-1-ene-6,7-diol (57714-93-9) → (R)-4-methylhex-5-enal (63215-85-0)

Guidance literature:

With lead(IV) acetate; In diethyl ether; at 18 ℃; for 2h; Yield given;

DOI:10.1039/cc9960000723

upstream raw materials:

(R)-3,7-dimethyl-1,6-octadiene

(R)-2,2-dimethyl-3-(3-methylpent-4-en-1-yl)oxirane

(+)-(3R,5E)-1,5-heptadien-3-ol

(3R)-3,7-dimethyloct-1-ene-6,7-diol