(2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid

Base Information

• Chemical Name: (2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid
• CAS No.: 207597-75-9
• Molecular Formula: C16H28O3
• Molecular Weight: 268.397
• European Community (EC) Number: 873-234-1
• DSSTox Substance ID: DTXSID401180001
• Nikkaji Number: J291.209K,J291.226K
• Wikidata: Q27097403
• Metabolomics Workbench ID: 151323
• Mol file: 207597-75-9.mol

Synonyms:207597-75-9;all-trans-S-Methoprene acid;(2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid;11-Methoxy-3,7S,11-trimethyl-2E,4E-dodecadienoic acid;METOPRENIC ACID;(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID;2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, (2E,4E,7S)-;SCHEMBL6114467;SCHEMBL7206440;DTXSID401180001;(2E,4E)-11-METHOXY-3,7,11-TRIMETHYL-DODECA-2,4-DIENOIC ACID;DB08175;PD004674;Q27097403

Chemical Property of (2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 4.19500
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 268.20384475
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C
• Isomeric SMILES: C[C@@H](CCCC(C)(C)OC)C/C=C/C(=C/C(=O)O)/C

Technology Process of (2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid

There total 1 articles about (2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic 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: 81.0%

(S)-methoprene (65733-16-6) → (2E,4E,7S)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid (207597-75-9,207597-76-0)

Guidance literature:

With water; lithium hydroxide; In methanol; at 50 ℃; for 48h;

Reference yield: 90.3%

diisopropyl pyrocarbonate (24425-00-1) + (2E,4E,7S)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid (207597-75-9,207597-76-0) → (S)-methoprene (65733-16-6)

Guidance literature:

With dmap; In toluene; at 15 - 25 ℃; for 3h; Reagent/catalyst; Solvent; Temperature; Green chemistry;

upstream raw materials:

(S)-methoprene

Downstream raw materials:

(S)-methoprene

Refernces

• 1、 La Clair, James J.,Bantle, John A.,Dumont, James. "Photoproducts and metabolites of a common insect growth regulator produce developmental deformities in Xenopus". . p. 1453 - 1461. Retrieved 2007/10/03.