2-Methyl-1-dodecanol

Base Information

• Chemical Name: 2-Methyl-1-dodecanol
• CAS No.: 22663-61-2
• Molecular Formula: C13H28 O
• Molecular Weight: 200.365
• Hs Code.: 2905199090
• UNII: 2V0N57LV6I
• DSSTox Substance ID: DTXSID50873307
• Nikkaji Number: J2.247.329H
• Wikidata: Q27255628
• Mol file: 22663-61-2.mol

Synonyms:2-Methyl-1-dodecanol;2-methyldodecan-1-ol;22663-61-2;1-Dodecanol, 2-methyl-;2-methyldodecyl alcohol;UNII-2V0N57LV6I;2V0N57LV6I;(s)-(-)-2-methyl-1-dodecanol;2-METHYL-1-DODECANOL (S);57289-26-6;SCHEMBL727208;DTXSID50873307;AKOS013993198;Q27255628

Chemical Property of 2-Methyl-1-dodecanol

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Melting Point: 26.15°C (estimate)
• Refractive Index: 1.4192 (estimate)
• Boiling Point: 260.8°Cat760mmHg
• PKA: 15.04±0.10(Predicted)
• Flash Point: 105.5°C
• PSA: 20.23000
• Density: 0.831g/cm³
• LogP: 4.14560
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 200.214015512
• Heavy Atom Count: 14
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

2-METHYL-1-DODECANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)CO

Technology Process of 2-Methyl-1-dodecanol

There total 4 articles about 2-Methyl-1-dodecanol 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: 42.0%

formic acid (64-18-6) + 1-dodecene (112-41-4,25067-08-7,62132-67-6) → methyl-2 dodecanol-1 (22663-61-2) + tridecan-1-ol (112-70-9)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; sodium formate; lithium chloride; at 150 ℃; for 24h; Autoclave; Ionic liquid;

DOI:10.1002/adsc.201200748

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + carbon monoxide (201230-82-2) → dodecane (112-40-3) + methyl-2 dodecanol-1 (22663-61-2) + tridecan-1-ol (112-70-9) + tridecanal (10486-19-8) + 2-methyldodecanal (37596-36-4)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 20h; under 60 Torr; regioselective reaction; Autoclave;

DOI:10.1002/anie.201207133

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + carbon monoxide (201230-82-2) → methyl-2 dodecanol-1 (22663-61-2) + tridecan-1-ol (112-70-9)

Guidance literature:

1-dodecene; carbon monoxide; With dicobalt octacarbonyl; C₂₀H₃₉P; hydrogen; sodium acetate; In toluene; at 110 ℃; for 22h; under 31029.7 Torr; Autoclave;

With sodium tetrahydroborate; In methanol; toluene; at 0 ℃; for 1h; Overall yield = 90 %; regioselective reaction;

DOI:10.1016/j.tet.2015.01.006

upstream raw materials:

1-dodecene

formic acid

carbon monoxide

Downstream raw materials:

2-methyldodecanal

(2-Methyl-dodecyloxysulfonyl)-phenyl-acetic acid