Benzenepropanol, 2,5-dimethoxy-

Base Information

• Chemical Name: Benzenepropanol, 2,5-dimethoxy-
• CAS No.: 33538-81-7
• Molecular Formula: C11H16 O3
• Molecular Weight: 196.24294
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID4067771
• Nikkaji Number: J422.297K
• Wikidata: Q81994417
• Mol file: 33538-81-7.mol

Synonyms:Benzenepropanol, 2,5-dimethoxy-;33538-81-7;3-(2,5-Dimethoxyphenyl)propanol;3-(2,5-dimethoxyphenyl)propan-1-ol;3-(2,5-Dimethoxy-phenyl)-propan-1-ol;SCHEMBL5833761;DTXSID4067771;2,5-Dimethoxybenzene-1-propanol;AKOS006291321;CS-0302685;EN300-1868024

Chemical Property of Benzenepropanol, 2,5-dimethoxy-

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Boiling Point: 321°Cat760mmHg
• Flash Point: 147.9°C
• PSA: 38.69000
• Density: 1.064g/cm³
• LogP: 1.62870
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

3-(2,5-DIMETHOXY-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: COC1=CC(=C(C=C1)OC)CCCO

Technology Process of Benzenepropanol, 2,5-dimethoxy-

There total 6 articles about Benzenepropanol, 2,5-dimethoxy- 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: 82.0%

methyl 2,5-dimethoxycinnamate (28689-10-3) → 3-(2,5-Dimethoxyphenyl)propanol (33538-81-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.5h; Heating;

DOI:10.1016/0022-1139(96)03417-3

Reference yield:

2,5-dimethoxycinnamic acid (10538-51-9) → 3-(2,5-Dimethoxyphenyl)propanol (33538-81-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00206a022

Reference yield:

6-methoxy-3,4-dihydrocoumarin (20920-98-3) → 3-(2,5-Dimethoxyphenyl)propanol (33538-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: aq. NaOH

With sodium hydroxide; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1002/jps.2600600815

upstream raw materials:

2,5-dimethoxycinnamic acid

5-Methoxy-2-hydroxyhydrozimtalkohol

dimethyl sulfate

methyl 2,5-dimethoxycinnamate

Downstream raw materials:

3-(2',5'-dimethoxyphenyl)propanal

1-(3-Bromopropyl)-2,5-dimethoxybenzene

1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinoline

3-(2,5-dimethoxyphenyl)propan-1-amine

Refernces

• 1、 Gerdes, John M.,Keil, Robert N.,Shulgin, Alexander T.,Mathis, Chester A.. "High pressure nucleophilic fluoride-ion substitution reactions: Formation of fluoroalkylbenzenes". . p. 121 - 129. Retrieved 2007/10/03.
• 2、 Billman,Tonnis. "Substituted aralkyl aldehydes: preparation and antitumor evaluation.". . p. 1188 - 1192. Retrieved 2007/10/11.