8-Dodecynoic acid

Base Information

• Chemical Name: 8-Dodecynoic acid
• CAS No.: 18545-07-8
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• DSSTox Substance ID: DTXSID50415569
• Nikkaji Number: J807.309K
• Wikidata: Q82224504
• Metabolomics Workbench ID: 881
• Mol file: 18545-07-8.mol

Synonyms:8-Dodecynoic acid;18545-07-8;SCHEMBL5378690;DTXSID50415569;LMFA01030471

Chemical Property of 8-Dodecynoic acid

Chemical Property:

• Melting Point: 48°C (estimate)
• Refractive Index: 1.4096 (estimate)
• Boiling Point: 356.18°C (rough estimate)
• PSA: 37.30000
• Density: 0.9746 (rough estimate)
• LogP: 3.21510
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC#CCCCCCCC(=O)O

Technology Process of 8-Dodecynoic acid

There total 1 articles about 8-Dodecynoic acid 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:

1-Pentyne (627-19-0) + 7-chloroheptanoic acid (821-57-8) → 8-Dodecinsaeure (18545-07-8)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide;

Reference yield:

8-Dodecinsaeure (18545-07-8) → (Z)-8-dodecen-1-yl acetate (28079-04-1)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether

2: H₂ / Lindlar catalyst / methanol

3: Py / benzene

With pyridine; lithium aluminium tetrahydride; hydrogen; Lindlar's catalyst; In methanol; diethyl ether; benzene;

Reference yield:

8-Dodecinsaeure (18545-07-8) → (E)-8-dodecenyl acetate (38363-29-0)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether

2: Li, liq. NH₃ / tetrahydrofuran

3: Py / benzene

With pyridine; lithium aluminium tetrahydride; ammonia; lithium; In tetrahydrofuran; diethyl ether; benzene;

upstream raw materials:

1-Pentyne

7-chloroheptanoic acid

Downstream raw materials:

(Z)-8-dodecenol

(Z)-8-dodecen-1-yl acetate

(E)-8-dodecenyl acetate