3-(3-Methylphenyl)propan-1-ol

Base Information

• Chemical Name: 3-(3-Methylphenyl)propan-1-ol
• CAS No.: 111171-94-9
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• DSSTox Substance ID: DTXSID60437414
• Wikidata: Q72487727
• Mol file: 111171-94-9.mol

Synonyms:111171-94-9;3-(3-methylphenyl)propan-1-ol;3-Methylbenzenepropanol;Benzenepropanol,3-methyl-;3-(m-Tolyl)propan-1-ol;Benzenepropanol, 3-methyl-;3-(m-methylphenyl)-1-propanol;SCHEMBL78906;3-(3-methylphenyl)-1-propanol;DTXSID60437414;ANOZGSVWIWKADP-UHFFFAOYSA-N;CS-M2099;MFCD09038686;AKOS005217808;SB84057;CS-14583;C12553;EN300-129705;A1-08425;Z979436642

Chemical Property of 3-(3-Methylphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.52004 (589.3 nm 25℃)
• Boiling Point: 147℃ (20 Torr)
• PKA: 15.11±0.10(Predicted)
• Flash Point: 112.211°C
• PSA: 20.23000
• Density: 0.985g/cm³
• LogP: 1.91990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

98%Min ^*data from raw suppliers

3-Methylbenzenepropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CCCO

Technology Process of 3-(3-Methylphenyl)propan-1-ol

There total 14 articles about 3-(3-Methylphenyl)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: 99.0%

3-(3-methylphenyl)propanoic acid (3751-48-2) → 3-(m-methylphenyl)-1-propanol (111171-94-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Reflux; Inert atmosphere;

DOI:10.1021/jacs.0c03991

Reference yield: 92.0%

3-m-tolyl-acrylic acid ethyl ester (50556-03-1) → 3-(m-methylphenyl)-1-propanol (111171-94-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.333333h;

DOI:10.1021/ol0515762

Reference yield: 83.0%

ethanol (64-17-5) + 3-methylbenzyl alcohol (587-03-1) → 3-(m-methylphenyl)-1-propanol (111171-94-9)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate; In tetrahydrofuran; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01540

upstream raw materials:

3-m-tolyl-acrylic acid ethyl ester

3-methyldihydrocinnamic acid methyl ester

oxirane

m-tolyl aldehyde

Downstream raw materials:

6-methyl-3,4-dihydronaphthalen-1(2H)-one

4-(m-methylphenyl)-1,1-bis(phenylthio)-1-butene

4-(m-methylphenyl)-1,1,1-tris(phenylthio)butane

Refernces

• 1、 Oki,Iwamura. "-". . p. 1135,1136. Retrieved 1959.
• 2、 Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel. "Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis". supporting information. p. 2140 - 2147. Retrieved 2021/03/06.
• 3、 Strassfeld, Daniel A.,Wickens, Zachary K.,Picazo, Elias,Jacobsen, Eric N.. "Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes". supporting information. p. 9175 - 9180. Retrieved 2020/07/13.