8-Nonynoic acid

Base Information

• Chemical Name: 8-Nonynoic acid
• CAS No.: 30964-01-3
• Molecular Formula: C9H14 O2
• Molecular Weight: 154.209
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID40184954
• Nikkaji Number: J110.802F
• Wikidata: Q83055899
• Metabolomics Workbench ID: 919
• Mol file: 30964-01-3.mol

Synonyms:8-NONYNOIC ACID;non-8-ynoic acid;30964-01-3;8-NONYNOICACID;LCZC1161;SCHEMBL2985078;DTXSID40184954;CHEBI:137768;LMFA01030509;MFCD00671368;AT18741;BP-28385;BS-48730;FT-0757865;EN300-201051;A929331;Z1255435221

Chemical Property of 8-Nonynoic acid

Chemical Property:

• Vapor Pressure: 0.00277mmHg at 25°C
• Melting Point: 19oC
• Refractive Index: 1.4524
• Boiling Point: 264.8°C at 760 mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 23°C
• PSA: 37.30000
• Density: 0.991g/cm³
• LogP: 2.04480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

8-NonynoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 10-34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCCC(=O)O
• Description: 8-Nonynoicacid is a fatty acid that belongs to the group of octynoic acids. It exhibits antibacterial activity against gram-positive bacteria by binding to bacterial fatty acids. 8-Nonynoicacid also inhibits growth of gram-negative bacteria by inhibiting the synthesis of fatty acids. It is also capable of inhibiting growth of both aerobic and anaerobic bacteria in biochemical assays.
• Uses: 8-Nonynoic Acid is a useful reagent used in the DNA-templated synthesis in organic solvents through pyrrolidine-catalyzed aldol condensation.

Technology Process of 8-Nonynoic acid

There total 5 articles about 8-Nonynoic 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: 73.0%

7-chloroheptanoic acid (821-57-8) + lithium acetylide (70277-75-7) → non-8-ynoic acid (30964-01-3)

Guidance literature:

In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; 1) 20 deg C, 12 h, 2) 40 deg C, 5 h;

Reference yield:

7-chloroheptanoic acid (821-57-8) + acetylene (74-86-2,25067-58-7) → non-8-ynoic acid (30964-01-3)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide;

Reference yield:

7-chloroheptanoic acid (821-57-8) → non-8-ynoic acid (30964-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaI

2: Na, liq. NH₃

With ammonia; sodium; sodium iodide;

upstream raw materials:

7-chloroheptanoic acid

acetylene

methyl non-8-enoate

lithium acetylide

Downstream raw materials:

8,11-octadecadienoic acid

8-nonyn-1-ol

(8Z,10E)-12-hydroxyheptadeca-8,10-dienoic acid

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