Lactobacillic acid methyl ester

Base Information

• Chemical Name: Lactobacillic acid methyl ester
• CAS No.: 112418-57-2
• Molecular Formula: C20H38O2
• UNII: F932BKF036
• Mol file: 112418-57-2.mol

Synonyms:Lactobacillic acid methyl ester;Lactobacillic acid, methyl ester;Lactobacillic acid methyl ester [MI];UNII-F932BKF036;F932BKF036;Cyclopropanedecanoic acid, 2-hexyl-, methyl ester, (1R,2S)-;112418-57-2;Q27277829

Chemical Property of Lactobacillic acid methyl ester

Chemical Property:

• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 310.287180451
• Heavy Atom Count: 22
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC1CC1CCCCCCCCCC(=O)OC
• Isomeric SMILES: CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC

Technology Process of Lactobacillic acid methyl ester

There total 2 articles about Lactobacillic acid methyl ester 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:

diiodomethane (75-11-6) + methyl vaccenate (1937-63-9,52380-33-3,6198-58-9) → methyl trans-11,12-methylene-octadecanoate (5965-63-9,21003-29-2,42199-25-7,112418-57-2)

Guidance literature:

With diethylzinc; In benzene; at 20 - 65 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.11.105

Reference yield:

→ methyl trans-11,12-methylene-octadecanoate (5965-63-9,21003-29-2,42199-25-7,112418-57-2)

Guidance literature:

/BRN= 3205075/;

DOI:10.1021/ja01636a020

Reference yield: 55.0%

methyl (Z)-10-(2-hexylcyclopropan-1-yl)decanoate (112418-57-2) → (11R,12S)-lactobacillic acid (503-06-0,58073-36-2,60761-43-5,84236-97-5,19625-10-6,83447-87-4)

Guidance literature:

With sodium hydroxide; In methanol; for 18h; Heating;

DOI:10.1016/S0957-4166(03)00165-4

upstream raw materials:

diiodomethane

methyl vaccenate

Downstream raw materials:

(11R,12S)-lactobacillic acid