1-Phenyl-1,3-propanediol

Base Information

• Chemical Name: 1-Phenyl-1,3-propanediol
• CAS No.: 4850-49-1
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Mol file: 4850-49-1.mol

Synonyms:(?à)-1-Phenyl-1,3-propanediol;1,3-Dihydroxy-1-phenylpropane; 1,3-Dihydroxy-3-phenylpropane;1-Phenyl-1,3-propanediol; 3-Phenyl-1,3-propanediol

Chemical Property of 1-Phenyl-1,3-propanediol

Chemical Property:

• Boiling Point: 175 °C(Press: 11 Torr)
• PKA: 13.95±0.20(Predicted)
• PSA: 40.46000
• Density: 1.1198 g/cm3(Temp: 15 °C)
• LogP: 1.10240
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

1-Phenylpropane-1,3-diol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Phenyl-1,3-propanediol

There total 74 articles about 1-Phenyl-1,3-propanediol 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: 100.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) → 1-phenyl-1,3-propanediol (4850-49-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 0.5h; Cooling with ice; Inert atmosphere;

DOI:10.1002/bkcs.10592

Reference yield: 99.0%

4-phenyl-1,3-dioxan-2-one (3524-55-8) → 1-phenyl-1,3-propanediol (4850-49-1)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In tetrahydrofuran; at 140 ℃; for 4h; under 38002.6 Torr; Autoclave;

Reference yield: 92.0%

Ethyl 3-hydroxy-3-phenylpropanoate (5764-85-2) → 1-phenyl-1,3-propanediol (4850-49-1)

Guidance literature:

With trimethoxysilane; lithium methanolate; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(98)02480-0

upstream raw materials:

Benzoyl acetaldehyde

ethyl 3-phenylglycidate

3-Phenylpropenol

methyl 3-hydroxy-3-phenylpropionate

Downstream raw materials:

2-chloro-4-phenyl-[1,3,2]dioxarsinane

2-phenyloxetane

3-Phenyl-1-propanol

phenylpropane

Refernces

• 1、 Zhang, Heng,Guo, Tianyun,Wu, Mingzhong,Huo, Xing,Tang, Shouchu,Wang, Xiaolei,Liu, Jian. "4CzIPN catalyzed photochemical oxidation of benzylic alcohols". supporting information. . Retrieved 2021/02/20.
• 2、 Bode, Bela E.,Chabbra, Sonia,Champion, Sue,Dawson, Daniel M.,Sood, D. Eilidh,Sutherland, Andrew,Watson, Allan J. B.. "Deoxyfluorination with CuF2: Enabled by Using a Lewis Base Activating Group". supporting information. p. 8460 - 8463. Retrieved 2020/04/10.