XYMENYNIC ACID

Base Information

• Chemical Name: XYMENYNIC ACID
• CAS No.: 2578-97-4
• Molecular Formula: C18H30 O2
• Molecular Weight: 278.435
• Mol file: 2578-97-4.mol

Synonyms:octadec-11E-9-ynoic acid;octadec-trans-11-en-9-ynoic acid;Santalbic acid;trans-ximenynic acid;ximeninic acid;(11E)-octadecen-9-ynoic acid;

Chemical Property of XYMENYNIC ACID

Chemical Property:

• Melting Point: 39-40 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
• Boiling Point: 198 °C(Press: 0.075 Torr)
• PKA: 4.77±0.10(Predicted)
• PSA: 37.30000
• Density: 0.936±0.06 g/cm3(Predicted)
• LogP: 5.33170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of XYMENYNIC ACID

There total 17 articles about XYMENYNIC 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: 41.0%

11-octadecen-9-ynoic acid (2578-97-4) → trans-ximenynic acid (2578-97-4,136145-04-5,557-58-4)

Guidance literature:

With urea; at 5 ℃; for 4h;

DOI:10.1080/00397911.2011.585443

Reference yield:

12-hydroxyoctadec-9-ynoic acid (925-42-8,84799-85-9,540-13-6) → (11Z)-octadecen-9-ynoic acid (557-58-4,2578-97-4,136145-04-5) + trans-ximenynic acid (2578-97-4,136145-04-5,557-58-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; thionyl chloride / 3 h / 60 °C

2: potassium hydroxide / ethanol; water / 24 h / Reflux

With pyridine; thionyl chloride; potassium hydroxide; In ethanol; water;

DOI:10.1080/00397911.2011.585443

Reference yield:

12-hydroxyoctadec-9-ynoic acid (925-42-8,84799-85-9,540-13-6) → (11Z)-octadecen-9-ynoic acid (557-58-4,2578-97-4,136145-04-5) + trans-ximenynic acid (2578-97-4,136145-04-5,557-58-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; thionyl chloride / 3 h / 60 °C

2: potassium hydroxide / ethanol; water / 24 h / Reflux

With pyridine; thionyl chloride; potassium hydroxide; In ethanol; water;

DOI:10.1080/00397911.2011.585443

upstream raw materials:

(Z)-dec-3-en-1-yne

dec-1-yn-4-ol

12-hydroxyoctadec-9-ynoic acid

9,10-dibromo-12-hydroxy-octadecanoic acid

Downstream raw materials:

octadec-11t-en-9-ynoic acid ethyl ester

cis-9,trans-11-octadecadienoic acid

stearic acid

trans-9,trans-11-octadecadienoic acid

Refernces