2-Butyl-5-propylthiophene

Base Information

• Chemical Name: 2-Butyl-5-propylthiophene
• CAS No.: 4861-62-5
• Molecular Formula: C₁₁H₁₈S
• Molecular Weight: 182.33
• DSSTox Substance ID: DTXSID901312508
• Nikkaji Number: J101.946E
• Mol file: 4861-62-5.mol

Synonyms:2-Butyl-5-propylthiophene;Thiophene, 2-butyl-5-propyl-;4861-62-5;2-Butyl-5-propylthiophene #;SCHEMBL18626758;DTXSID901312508

Chemical Property of 2-Butyl-5-propylthiophene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 182.11292175
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC=C(S1)CCC

Technology Process of 2-Butyl-5-propylthiophene

There total 3 articles about 2-Butyl-5-propylthiophene 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