cis-11-Methyl-2-dodecenoic acid

Base Information

• Chemical Name: cis-11-Methyl-2-dodecenoic acid
• CAS No.: 677354-23-3
• Molecular Formula: C13H24O2
• Molecular Weight: 212.33
• Hs Code.: 2916190090
• European Community (EC) Number: 664-247-1
• Nikkaji Number: J2.017.966J
• Wikidata: Q27155475
• Mol file: 677354-23-3.mol

Synonyms:cis-11-Methyl-2-dodecenoic acid;677354-23-3;(Z)-11-methyldodec-2-enoic Acid;cis-Delta2-11-methyl-Dodecenoic Acid;cis-.DELTA.2-11-methyl-Dodecenoic Acid;SCHEMBL1470934;CHEBI:81585;(Z)-11-methyldodec-2-enoicAcid;11-Methyl-2(Z)-Dodecenoic acid;HMS3650M21;MFCD09263531;AKOS025119220;cis- delta 2-11-methyl-Dodecenoic Acid;WS-01879;(2Z)-11-METHYLDODEC-2-ENOIC ACID;HY-134215;CS-0139741;C18206;D86952;SR-01000946813;SR-01000946813-1;cis-11-Methyl-2-dodecenoic acid, >=90.0% (HPLC);Q27155475;(Z)-11-methyldodec-2-enoic acid CAS 677354-23-3

Chemical Property of cis-11-Methyl-2-dodecenoic acid

Chemical Property:

• Boiling Point: 322.28 °C at 760 mmHg
• PKA: 4.61±0.25(Predicted)
• Flash Point: 226.505 °C
• PSA: 37.30000
• Density: 0.916 g/cm³
• LogP: 4.01390
• Storage Temp.: ?20°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

cis-11-Methyl-2-dodecenoic acid ≥90.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/38-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCC=CC(=O)O
• Isomeric SMILES: CC(C)CCCCCCC/C=C\C(=O)O
• Uses: cis-11-Methyl-2-dodecenoic acid regulates virulence in Xanthomonas campestris pv. campestris. It also is structurally and functionally related to farnesoic acid (FA), which regulates morphological transition and virulence by Candida albicans, a fungal pathogen. Diffusible signal factor (cis-11-methyl-2-dodecenoic acid, DSF) is used to study cell-cell communication by pathogenic bacteria such as Xanthomonas campestris pv. Campestris (Xcc). DSF is involved in the synchronization of virulence gene expression and biofilm dispersal.

Technology Process of cis-11-Methyl-2-dodecenoic acid

There total 14 articles about cis-11-Methyl-2-dodecenoic 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: 89.0%

11-methyldodec-2-ynoic acid → (Z)-11-methyldodec-2-enoic acid (677354-23-3,677354-24-4)

Guidance literature:

With hydrogen; In dichloromethane; for 72h; under 3102.97 Torr;

DOI:10.1016/j.tetlet.2018.04.071

Reference yield: 88.3%

C14H26Br2O → (Z)-11-methyldodec-2-enoic acid (677354-23-3,677354-24-4)

Guidance literature:

C₁₄H₂₆Br₂O; With sodium hydroxide; water; for 6 - 8h;

With hydrogenchloride; In water;

Reference yield: 58.0%

C15H28O2 → (Z)-11-methyldodec-2-enoic acid (677354-23-3,677354-24-4)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 0 - 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2018.04.071

upstream raw materials:

9-methyldecan-1-ol

(3-methylbutyl)magnesium bromide

1-Heptyne

5-bromopentan-1-ol