3-(4-Methylsulfanyl-phenyl)-propan-1-OL

Base Information

• Chemical Name: 3-(4-Methylsulfanyl-phenyl)-propan-1-OL
• CAS No.: 59209-70-0
• Molecular Formula: C10H14OS
• Molecular Weight: 182.287
• DSSTox Substance ID: DTXSID00482706
• Nikkaji Number: J3.362.204J
• Wikidata: Q82319321
• Mol file: 59209-70-0.mol

Synonyms:3-(4-METHYLSULFANYL-PHENYL)-PROPAN-1-OL;59209-70-0;3-[4-(METHYLSULFANYL)PHENYL]PROPAN-1-OL;SCHEMBL81913;4-(methylthio)benzenepropanol;3-(4-methylthiophenyl)propanol;DTXSID00482706;PBRZSDNPNGKPJA-UHFFFAOYSA-N;3-(4-methylthiophenyl)-1-propanol;AKOS006288351;EN300-1870363

Chemical Property of 3-(4-Methylsulfanyl-phenyl)-propan-1-OL

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 314.7°C at 760 mmHg
• Flash Point: 153.3°C
• PSA: 45.53000
• Density: 1.09g/cm³
• LogP: 2.33340
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 182.07653624
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

3-(4-METHYLSULFANYL-PHENYL)-PROPAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)CCCO

Technology Process of 3-(4-Methylsulfanyl-phenyl)-propan-1-OL

There total 5 articles about 3-(4-Methylsulfanyl-phenyl)-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: 78.0%

methyl 3-[4-(methylthio)phenyl]propanoate (123392-44-9) → 4-(methylthio)benzenepropanol (59209-70-0)

Guidance literature:

With isopropyl alcohol; In hexane; at 0 - 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/jo501093g

Reference yield: 39.0%

N,N-dimethyl-3-(4-(methylthio)phenyl)propanamide → 4-(methylthio)benzenepropanol (59209-70-0)

Guidance literature:

With ethanol; sodium; In hexane; paraffin oil; at 0 ℃; for 0.0833333h; Inert atmosphere;

Reference yield:

p-(methylthio)cinnamic acid (102016-58-0) → 4-(methylthio)benzenepropanol (59209-70-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 mg / H₂ / Pd/C / ethyl acetate; ethanol / 168 h / 20 °C

2: 4.25 g / aq. H₂SO₄ / CH₂Cl₂ / Heating

3: 2.72 g / LiAlH₄ / diethyl ether

With lithium aluminium tetrahydride; sulfuric acid; hydrogen; palladium on activated charcoal; In diethyl ether; ethanol; dichloromethane; ethyl acetate;

DOI:10.1002/chem.200400516

upstream raw materials:

methyl 3-[4-(methylthio)phenyl]propanoate

p-(methylthio)cinnamic acid

4-(Methylthio)benzaldehyde

Downstream raw materials:

(4-(3-bromopropyl)phenyl)(methyl)sulfane

3-[4-(methylsulfonyl)phenyl]propan-1-ol

4-(4-methylsulfanyl-phenyl)butyric acid