7-Hydroxyheptanal

Base Information

• Chemical Name: 7-Hydroxyheptanal
• CAS No.: 22054-13-3
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• DSSTox Substance ID: DTXSID80451576
• Nikkaji Number: J715.542E
• Wikidata: Q82271657
• Mol file: 22054-13-3.mol

Synonyms:7-hydroxyheptanal;Heptanal, 7-hydroxy-;22054-13-3;7-hydroxy-heptanal;SCHEMBL9407145;DTXSID80451576;JOXWSBFBXNGDFD-UHFFFAOYSA-N

Chemical Property of 7-Hydroxyheptanal

Chemical Property:

• Boiling Point: 214.5±23.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.937±0.06 g/cm3(Predicted)
• LogP: 1.12810
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 61.9

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCO)CCC=O

Technology Process of 7-Hydroxyheptanal

There total 7 articles about 7-Hydroxyheptanal 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: 76.0%

methyl 9,10,16-trihydroxyhexadecanoate (6003-08-3,33447-75-5,33447-77-7,57491-54-0,57491-55-1,30009-42-8) → 7-hydroxyheptanal (22054-13-3) + methyl ester of azelaic acid aldehyde (1931-63-1)

Guidance literature:

With sodium periodate; In acetonitrile; for 0.5h;

DOI:10.1016/0957-4166(95)00296-2

Reference yield: 72.0%

7-hydroxyheptyl phenyl telluride (1192601-85-6) → 1,7-heptandiol (629-30-1) + 6-hepten-1-ol (4117-10-6) + 7-hydroxyheptanal (22054-13-3)

Guidance literature:

With oxygen; In hexane; for 0.0333333h; UV-irradiation;

DOI:10.1021/ol901943f

Reference yield: 37.0%

oxocan-2-one (539-87-7) → 7-hydroxyheptan-1-al (72488-05-2) + 7-hydroxyheptanal (22054-13-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -70 ℃; for 3h; Overall yield = 0.6 g; Inert atmosphere;

DOI:10.1134/S1070428020080047

upstream raw materials:

methyl 9,10,16-trihydroxyhexadecanoate

7-hydroxyheptyl phenyl telluride

5-Hexen-1-ol

carbon monoxide

Downstream raw materials:

(Z)-7-dodecenol

(7E,9Z)-dodeca-7,9-dien-1-ol

(E,Z)-7,9-dodecadienol

(7Z,9E)-7,9-dodecadien-1-ol