12-Methyltridecan-1-ol

Base Information

• Chemical Name: 12-Methyltridecan-1-ol
• CAS No.: 21987-21-3
• Molecular Formula: C14H30O
• Molecular Weight: 214.392
• Hs Code.: 2905199090
• European Community (EC) Number: 800-729-1
• DSSTox Substance ID: DTXSID80871331
• Nikkaji Number: J261.120A
• Wikidata: Q27158173
• Mol file: 21987-21-3.mol

Synonyms:12-methyltridecan-1-ol;21987-21-3;12-METHYL-1-TRIDECANOL;12-Methyltridecanol;12-Methyl-tridecanol;SCHEMBL258734;CHEBI:84909;DTXSID80871331;AKOS025396876;FT-0672290;Q27158173

Chemical Property of 12-Methyltridecan-1-ol

Chemical Property:

• Vapor Pressure: 0.000628mmHg at 25°C
• Melting Point: 10.5℃
• Refractive Index: 1.4464 (589.3 nm 20℃)
• Boiling Point: 275.7oC at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 109.9oC
• PSA: 20.23000
• Density: 0.832g/cm3
• LogP: 4.53570
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 214.229665576
• Heavy Atom Count: 15
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

12-Methyltridecanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCO
• Uses: 12-Methyltridecanol is an intermediate in the synthesis of the marine fatty acid (-)-2-Methoxy-13-methyltetradecanoic acid. (-)-2-Methoxy-13-methyltetradecanoic acid is a cytotoxic fatty acid to leu kemia cells. 12-Methyltridecanol is an intermediate in the synthesis of the marine fatty acid (±)-2-Methoxy-13-methyltetradecanoic acid. (±)-2-Methoxy-13-methyltetradecanoic acid is a cytotoxic fatty acid to leukemia cells.

Technology Process of 12-Methyltridecan-1-ol

There total 1 articles about 12-Methyltridecan-1-ol 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:

9-bromononan-1-ol (55362-80-6) + (3-methylbutyl)magnesium bromide (4548-78-1) → 12-methyltridecan-1-ol (21987-21-3)

Guidance literature:

With dilithium tetrachlorocuprate; In tetrahydrofuran; at -78 - 20 ℃;

Reference yield: 100.0%

12-methyltridecan-1-ol (21987-21-3) → 12-methyl-1-bromotridecane (111772-90-8)

Guidance literature:

With 1H-imidazole; carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield: 98.0%

12-methyltridecan-1-ol (21987-21-3) → 12-methyltridecan-1-al (75853-49-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/S0009-3084(03)00110-5

upstream raw materials:

9-bromononan-1-ol

(3-methylbutyl)magnesium bromide

Downstream raw materials:

12-methyl-1-bromotridecane

12-methyltridecan-1-al

C₃₀H₅₀O₃

Refernces