3-(1-Benzothiophen-2-yl)propan-1-ol

Base Information

• Chemical Name: 3-(1-Benzothiophen-2-yl)propan-1-ol
• CAS No.: 31909-05-4
• Molecular Formula: C₁₁H₁₂OS
• Molecular Weight: 192.282
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20518511
• Wikidata: Q82381230
• Mol file: 31909-05-4.mol

Synonyms:31909-05-4;3-(1-benzothiophen-2-yl)propan-1-ol;3-Benzo[b]thiophen-2-yl-propan-1-ol;3-(Benzo[b]thiophen-2-yl)propan-1-ol;Benzo[b]thiophene-2-propanol;SCHEMBL79169;DTXSID20518511;AKOS006284157;EN300-1836276

Chemical Property of 3-(1-Benzothiophen-2-yl)propan-1-ol

Chemical Property:

• Boiling Point: 349.8±17.0 °C(Predicted)
• PKA: 14.99±0.10(Predicted)
• PSA: 48.47000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 2.82620
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.06088618
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-BENZO[B]THIOPHEN-2-YL-PROPAN-1-OL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CCCO

Technology Process of 3-(1-Benzothiophen-2-yl)propan-1-ol

There total 5 articles about 3-(1-Benzothiophen-2-yl)propan-1-ol 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:

C12H12O2S (65942-76-9) → 3-(2-benzothienyl)-propyl alcohol (31909-05-4)

Guidance literature:

C₁₂H₁₂O₂S; With methanol; lithium borohydride; In diethyl ether; at 0 - 20 ℃; for 3h;

With sodium hydroxide; In diethyl ether; water; for 1h;

Reference yield:

1-(3-benzothienyl)-3-(tetrahydro-2H-pyran-2-yloxy)propane → 3-(2-benzothienyl)-propyl alcohol (31909-05-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 20h;

Reference yield:

3-(benzothiophene-2-yl)propanoic acid (42768-60-5) → 3-(2-benzothienyl)-propyl alcohol (31909-05-4)

Guidance literature:

3-(benzothiophene-2-yl)propanoic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; for 18h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran;

upstream raw materials:

C₁₂H₁₂O₂S

3-(benzothiophene-2-yl)propanoic acid

3-(benzo[b]thiophen-2-yl)-2-propyn-1-ol

Downstream raw materials:

3-(benzo[b]thiophen-2-yl)-1-propyl 4-methylbenzenesulfonate