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

Base Information

• Chemical Name: 3-(4-Hydroxymethyl-phenyl)-propan-1-OL
• CAS No.: 38628-53-4
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID90459740
• Nikkaji Number: J3.600.319G
• Wikidata: Q82283573
• Mol file: 38628-53-4.mol

Synonyms:38628-53-4;3-(4-HYDROXYMETHYL-PHENYL)-PROPAN-1-OL;3-[4-(hydroxymethyl)phenyl]propan-1-ol;3-(4-(Hydroxymethyl)phenyl)propan-1-ol;SCHEMBL2329516;DTXSID90459740;HOLRRRVDKVZVNG-UHFFFAOYSA-N;AKOS006288349

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

Chemical Property:

• Vapor Pressure: 7.87E-05mmHg at 25°C
• Boiling Point: 328oC at 760 mmHg
• Flash Point: 161.1oC
• PSA: 40.46000
• Density: 1.107g/cm3
• LogP: 1.10380
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

3-(4-HYDROXYMETHYL-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: C1=CC(=CC=C1CCCO)CO

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

There total 16 articles about 3-(4-Hydroxymethyl-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: 93.0%

3-(4-(methoxycarbonyl)phenyl)propanoic acid methyl ester (40912-11-6) → 3-<4-(hydroxymethyl)phenyl>propanol (38628-53-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c1cc15539c

Reference yield: 71.0%

4-(3-hydroxy-1-propyn-1-yl)-benzaldehyde (80151-10-6) → 3-<4-(hydroxymethyl)phenyl>propanol (38628-53-4)

Guidance literature:

With sodium tetrahydroborate; palladium 10% on activated carbon; acetic acid; In isopropyl alcohol; Inert atmosphere;

DOI:10.1039/c4cc05163g

Reference yield: 56.0%

3-(4-carboxyphenyl)propionic acid (38628-51-2) → 3-<4-(hydroxymethyl)phenyl>propanol (38628-53-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1002/chem.202003000

upstream raw materials:

butyl (E)-4-formylcinnamate

4-bromo-benzaldehyde

3-[4-(hydroxymethyl)phenyl]propanoic acid

3-(4-(methoxycarbonyl)phenyl)propanoic acid methyl ester

Downstream raw materials:

3-(4'-formylphenyl)propanal

1-(bromomethyl)-4-(3-bromopropyl)benzene

3-[4-(3-hydroxy-propyl)-phenyl]-1-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propan-1-one

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

Refernces

• 1、 Utsumi, Tatsuki,Noda, Kenta,Kawauchi, Daichi,Ueda, Hirofumi,Tokuyama, Hidetoshi. "Nitrile Synthesis by Aerobic Oxidation of Primary Amines and in situ Generated Imines from Aldehydes and Ammonium Salt with Grubbs Catalyst". supporting information. p. 3583 - 3588. Retrieved 2020/08/05.
• 2、 Crespi, Stefano,Donabauer, Karsten,K?nig, Burkhard,Murugesan, Kathiravan,Rozman, Ur?a. "Photocatalytic Reductive Radical-Polar Crossover for a Base-Free Corey–Seebach Reaction". supporting information. p. 12945 - 12950. Retrieved 2020/09/23.