2-Butyl-5-ethylthiophene

Base Information

• Chemical Name: 2-Butyl-5-ethylthiophene
• CAS No.: 54411-06-2
• Molecular Formula: C10H16S
• Molecular Weight: 168.3
• Hs Code.: 2934999090
• European Community (EC) Number: 611-139-7
• DSSTox Substance ID: DTXSID50334660
• Nikkaji Number: J100.328C
• Wikidata: Q82100563
• Mol file: 54411-06-2.mol

Synonyms:2-Butyl-5-ethylthiophene;54411-06-2;2-n-Butyl-5-ethylthiophene;Thiophene, 2-butyl-5-ethyl-;2-Butyl-5-ethylthiophene #;SCHEMBL3503770;DTXSID50334660;MFCD00053118;AKOS024285754;AS-58319;FT-0640250

Chemical Property of 2-Butyl-5-ethylthiophene

Chemical Property:

• Vapor Pressure: 0.182mmHg at 25°C
• Melting Point: 148-149°C
• Refractive Index: 1.508
• Boiling Point: 218.8 °C at 760 mmHg
• Flash Point: 61 °C
• PSA: 28.24000
• Density: 0.947 g/cm³
• LogP: 3.65310
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 168.09727168
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2-Butyl-5-ethylthiophene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(S1)CC

Technology Process of 2-Butyl-5-ethylthiophene

There total 3 articles about 2-Butyl-5-ethylthiophene 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:

C17H29N3O7S → 2-propylfuran (4229-91-8) + 1-thiophen-2-yl-propan-1-one (13679-75-9) + 2-ethyl-5-propylthiophene (54244-74-5) + 2,5-dipropylthiophene (54411-07-3) + 2-butyl-5-ethyl-thiophene (54411-06-2) + 2-butyl-5-propylthiophene (4861-62-5) + 2-sec-butyl-5-(1-methylbutyl)thiophene

Guidance literature:

In aq. phosphate buffer; at 140 ℃; for 2h; pH=6.5; Sealed tube;

DOI:10.1016/j.foodchem.2019.125482

Reference yield:

C22H37N5O9S2 → 2-propylfuran (4229-91-8) + 1-thiophen-2-yl-propan-1-one (13679-75-9) + 2-ethyl-5-propylthiophene (54244-74-5) + 2,5-dipropylthiophene (54411-07-3) + 2-butyl-5-ethyl-thiophene (54411-06-2) + 2-butyl-5-propylthiophene (4861-62-5) + 2-sec-butyl-5-(1-methylbutyl)thiophene

Guidance literature:

In aq. phosphate buffer; at 140 ℃; for 2h; pH=6.5; Sealed tube;

DOI:10.1016/j.foodchem.2019.125482

Reference yield:

(E)-2-Heptenal (18829-55-5) → 2-propylfuran (4229-91-8) + 2,5-dipropylthiophene (54411-07-3) + 2-butyl-5-ethyl-thiophene (54411-06-2) + 2-butyl-5-propylthiophene (4861-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. phosphate buffer / 0.17 h / 90 °C / pH 6.5

2: aq. phosphate buffer / 2 h / 140 °C / pH 6.5 / Sealed tube

In aq. phosphate buffer;

DOI:10.1016/j.foodchem.2019.125482

upstream raw materials:

(E)-2-Heptenal

Refernces