3-(2-Methoxyphenyl)propanal

Base Information

• Chemical Name: 3-(2-Methoxyphenyl)propanal
• CAS No.: 33538-83-9
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2912499000
• NSC Number: 105516
• DSSTox Substance ID: DTXSID90295786
• Nikkaji Number: J3.052.984G
• Wikidata: Q82035944
• ChEMBL ID: CHEMBL79551
• Mol file: 33538-83-9.mol

Synonyms:3-(2-methoxyphenyl)propanal;33538-83-9;BENZENEPROPANAL, 2-METHOXY-;3-(2-Methoxy-phenyl)-propionaldehyde;NSC105516;CHEMBL79551;SCHEMBL910888;3-(2-methoxyphenyl)-1-propanal;DTXSID90295786;FIMNMFRUQUMXEV-UHFFFAOYSA-N;3-(2-Methoxyphenyl)propionaldehyde;3-(2'-Methoxyphenyl)propionaldehyde;MFCD07772908;AKOS011897534;AB42265;DS-6956;NSC-105516;F19725;EN300-1843533;J-510528;Z993017838

Chemical Property of 3-(2-Methoxyphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.0378mmHg at 25°C
• Boiling Point: 240.5°Cat760mmHg
• Flash Point: 95.5°C
• PSA: 26.30000
• Density: 1.025g/cm³
• LogP: 1.82670
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-methoxyphenyl)propanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCC=O

Technology Process of 3-(2-Methoxyphenyl)propanal

There total 27 articles about 3-(2-Methoxyphenyl)propanal 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: 95.0%

3-(2-methoxyphenyl)propan-1-ol (10493-37-5) → 3-(2-methoxyphenyl)propanal (33538-83-9)

Guidance literature:

3-(2-methoxyphenyl)propan-1-ol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h; Inert atmosphere;

With triethylamine; at 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1016/j.bmc.2014.03.012

Reference yield: 90.0%

formic acid (64-18-6) + o-methoxystyrene (612-15-7) → 3-(2-methoxyphenyl)propanal (33538-83-9)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; acetic anhydride; tetra-(n-butyl)ammonium iodide; In 1,2-dichloro-ethane; at 80 ℃; for 24h; regioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1021/jacs.6b10297

Reference yield: 83.0%

2-Methoxyphenylboronic acid (5720-06-9) + allyl alcohol (107-18-6) → 3-(2-methoxyphenyl)propanal (33538-83-9)

Guidance literature:

With oxygen; palladium diacetate; copper(l) chloride; In dimethyl sulfoxide; at 50 ℃; for 20h; under 760.051 Torr; regioselective reaction;

DOI:10.1002/adsc.201100782

upstream raw materials:

3-(2-methoxyphenyl)propionyl chloride

3-(2-methoxyphenyl)propan-1-ol

4-iodoanisol

allyl alcohol

Downstream raw materials:

2-amino-5-(2'-methoxybenzyl)thiophene-3-carboxylic acid ethyl ester

(S)-2-(hydroxy(phenyl)amino)-3-(2-methoxyphenyl)propan-1-ol

2-(hydroxy(phenyl)amino)-3-(2-methoxyphenyl)propan-1-ol

C₁₃H₁₈O₂

Refernces

• 1、 Zhu, Jie,Xu, Deng,Ding, Lu-jia,Wang, Peng-cheng. "CoPd Nanoalloys with Metal–Organic Framework as Template for Both N-Doped Carbon and Cobalt Precursor: Efficient and Robust Catalysts for Hydrogenation Reactions". . p. 2707 - 2716. Retrieved 2021/01/21.
• 2、 Qu, Bo,Tan, Renchang,Herling, Madison R.,Haddad, Nizar,Grinberg, Nelu,Kozlowski, Marisa C.,Zhang, Xumu,Senanayake, Chris H.. "Enantioselective Synthesis of 4-Methyl-3,4-dihydroisocoumarin via Asymmetric Hydroformylation of Styrene Derivatives". . p. 4915 - 4920. Retrieved 2019/03/19.