2,2-dimethyldodecanoic Acid

Base Information

• Chemical Name: 2,2-dimethyldodecanoic Acid
• CAS No.: 2874-73-9
• Molecular Formula: C14H28O2
• Molecular Weight: 228.37
• Hs Code.: 2915900090
• European Community (EC) Number: 866-749-8
• DSSTox Substance ID: DTXSID40401390
• Nikkaji Number: J670.945A
• Wikidata: Q82204479
• Mol file: 2874-73-9.mol

Synonyms:2,2-dimethyldodecanoic Acid;2874-73-9;2,2-dimethyllauric acid;DIMETHYLDODECANOIC ACID;SCHEMBL891373;DTXSID40401390;DGMAZGHRQYFPHM-UHFFFAOYSA-N;CAA87473;AKOS012709571;FT-0634524;EN300-118517;Z1136505746

Chemical Property of 2,2-dimethyldodecanoic Acid

Chemical Property:

• Vapor Pressure: 2.41E-05mmHg at 25°C
• Melting Point: 27℃
• Refractive Index: 1.45
• Boiling Point: 334.6 °C at 760 mmHg
• Flash Point: 151 °C
• PSA: 37.30000
• Density: 0.898 g/cm³
• LogP: 4.62800
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 185

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-DimethyldodecanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)(C)C(=O)O

Technology Process of 2,2-dimethyldodecanoic Acid

There total 10 articles about 2,2-dimethyldodecanoic 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: 88.0%

methyl 2,2-dimethyldodecanoate (32361-41-4) → 2,2-Dimethyl dodecanoic acid (2874-73-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112408

Reference yield: 70.1%

→ 2,2-Dimethyl dodecanoic acid (2874-73-9)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 41.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + isobutyric Acid (79-31-2) → 2,2-Dimethyl dodecanoic acid (2874-73-9)

Guidance literature:

With di-tert-butyl peroxide; at 154 ℃; for 96h;

DOI:10.1016/0040-4020(80)80056-1

upstream raw materials:

1-Decene

isobutyric Acid

2-chloro-2-methyldodecane

carbon monoxide

Downstream raw materials:

2,2-Dimethyl-dodecanoic acid (3,4-dimethyl-phenyl)-amide

N-(2,6-dimethylphenyl)-2,2-dimethyldodecanamide

2,2-Dimethyl-dodecanoic acid (2,4-dimethyl-phenyl)-amide

2,2-Dimethyl-dodecanoic acid (2-isopropyl-6-methyl-phenyl)-amide

Refernces

• 1、 -. "MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS". Paragraph 00456; 00887. . Retrieved 2017/08/01.
• 2、 Roth,Blankley,Hoefle,Holmes,Roark,Trivedi,Essenburg,Kieft,Krause,Stanfield. "Inhibitors of Acyl-CoA:cholesterol acyltransferase. I. Identification and structure-activity relationships of a novel series of fatty acid anilide hypocholesterolemic agents". . p. 1609 - 1617. Retrieved 2007/10/02.