2-Methyl-1-undecene

Base Information

• Chemical Name: 2-Methyl-1-undecene
• CAS No.: 18516-37-5
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• Hs Code.: 29012900
• European Community (EC) Number: 242-394-9
• NSC Number: 93957
• UNII: KX42D9YCJ2
• DSSTox Substance ID: DTXSID60171725
• Nikkaji Number: J125.004C
• Wikidata: Q83041867
• Mol file: 18516-37-5.mol

Synonyms:2-Methyl-1-undecene;2-Methylundec-1-ene;18516-37-5;1-Undecene, 2-methyl-;KX42D9YCJ2;EINECS 242-394-9;MFCD00009585;NSC-93957;NSC93957;2-methyl-undec-1-ene;UNII-KX42D9YCJ2;2-Methyl-1-undecene, 97%;DTXSID60171725;NSC 93957;AKOS015912735;FT-0637708;J-011872

Chemical Property of 2-Methyl-1-undecene

Chemical Property:

• Vapor Pressure: 0.00366mmHg at 25°C
• Melting Point: -40.77°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 209.5°Cat760mmHg
• Flash Point: 72.2°C
• PSA: 0.00000
• Density: 0.759g/cm³
• LogP: 4.70320
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

2-Methyl-1-undecene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC(=C)C

Technology Process of 2-Methyl-1-undecene

There total 23 articles about 2-Methyl-1-undecene 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: 95.0%

methyl nonyl ketone (112-12-9) + Methyltriphenylphosphonium bromide (1779-49-3) → 2-methyl-undec-1-ene (18516-37-5)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; diethyl ether; for 0.5h; Inert atmosphere; Reflux;

DOI:10.1021/ja5105602

Reference yield: 94.0%

2-methyl-2-undecanol (32836-42-3) + acetic anhydride (108-24-7) → 2-methyl-undec-2-ene (56888-88-1) + 2-methyl-undec-1-ene (18516-37-5) + 1,1-dimethyldecanyl acetate (163399-21-1)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; at -20 ℃; for 5.5h; Yields of byproduct given;

DOI:10.1021/jo952237x

Reference yield: 85.0%

2-bromoprop-1-ene (557-93-7) + n-octylmagnesium chloride (38841-98-4) → 2-methyl-undec-1-ene (18516-37-5)

Guidance literature:

With Fe(S-2-naphthyl)2; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201200184

upstream raw materials:

octylmagnesium bromide

3-Chloro-2-methylpropene

methyl nonyl ketone

methyltriphenylphosphorane

Downstream raw materials:

2,3,3,4,4,5-hexamethyl-2-hexanethiol

(E)-1,3-dimethoxy-5-(2-methylundec-1-en-1-yl)benzene

5-(2-methylundecyl)benzene-1,3-diol

2,4-bis(1,1-dimethyldecyl)phenol

Refernces

• 1、 Fei, Jun,Wang, Zhen,Cai, Zheren,Sun, Hao,Cheng, Xu. "Synthesis of α-Tertiary Amine Derivatives by Intermolecular Hydroamination of Unfunctionalized Alkenes with Sulfamates under Trifluoromethanesulfonic Acid Catalysis". supporting information. p. 4063 - 4068. Retrieved 2016/01/25.
• 2、 Cahiez, Gerard,Gager, Olivier,Buendia, Julien,Patinote, Cindy. "Iron thiolate complexes: Efficient catalysts for coupling alkenyl halides with alkyl grignard reagents". supporting information; experimental part. p. 5860 - 5863. Retrieved 2012/07/01.