2-Butenoic acid, 3-methyl-, hexyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 3-methyl-, hexyl ester
• CAS No.: 17627-41-7
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916190090
• European Community (EC) Number: 241-608-8
• DSSTox Substance ID: DTXSID6066230
• Nikkaji Number: J287.097E
• Mol file: 17627-41-7.mol

Synonyms:hexyl 3-methylbut-2-enoate;2-Butenoic acid, 3-methyl-, hexyl ester;17627-41-7;Hexyl 3-methyl-2-butenoate;3-Methyl-2-butenoic acid, hexyl ester;EINECS 241-608-8;n-hexyl isopentenoate;Hexyl 3-methyl-2-butenoate #;DTXSID6066230;3-Methyl-2-butenoic acid hexyl ester

Chemical Property of 2-Butenoic acid, 3-methyl-, hexyl ester

Chemical Property:

• Vapor Pressure: 0.0519mmHg at 25°C
• Boiling Point: 234.8°Cat760mmHg
• Flash Point: 95.7°C
• PSA: 26.30000
• Density: 0.89g/cm³
• LogP: 3.07610
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butenoic acid, 3-methyl-, hexyl ester

There total 4 articles about 2-Butenoic acid, 3-methyl-, hexyl ester 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:

(3-Chloro-1-hexyloxy-2,2-dimethyl-cyclopropoxy)-trimethyl-silane → methyl-3 butene-2 oate de n-hexyle (17627-41-7)

Guidance literature:

With triethylamine; In methanol; for 12h; Yield given; Heating;

DOI:10.1016/S0040-4020(01)96366-5

Reference yield:

hexyl 2-methylpropionate (2349-07-7) → methyl-3 butene-2 oate de n-hexyle (17627-41-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / tetrahydrofuran / -80 °C

2: NaN(SiMe₃)2 / pentane / -15 deg C, 1.5 h; rt., 1 h

3: triethylamine / methanol / 12 h / Heating

With sodium hexamethyldisilazane; triethylamine; In tetrahydrofuran; methanol; pentane;

DOI:10.1016/S0040-4020(01)96366-5

Reference yield:

n-hexyloxy-1 methyl-2 trimethylsiloxy-1 propene-1 (101128-23-8) → methyl-3 butene-2 oate de n-hexyle (17627-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaN(SiMe₃)2 / pentane / -15 deg C, 1.5 h; rt., 1 h

2: triethylamine / methanol / 12 h / Heating

With sodium hexamethyldisilazane; triethylamine; In methanol; pentane;

DOI:10.1016/S0040-4020(01)96366-5

upstream raw materials:

3,3-Dimethylacryloyl chloride

hexan-1-ol

hexyl 2-methylpropionate

n-hexyloxy-1 methyl-2 trimethylsiloxy-1 propene-1