3-Methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde

Base Information

• Chemical Name: 3-Methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde
• CAS No.: 58758-45-5
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID10406392
• Nikkaji Number: J2.340.127D
• Wikidata: Q82211334
• Mol file: 58758-45-5.mol

Synonyms:3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde;58758-45-5;3-methoxy-2-prop-2-ynoxybenzaldehyde;CHEMBRDG-BB 4023259;3-Methoxy-2-prop-2-ynyloxy-benzaldehyde;DTXSID10406392;MFCD07432746;AKOS000103048;3-Methoxy-2-(2-propynyloxy)benzaldehyde;3-methoxy-2-(prop-2-ynoxy)benzaldehyde;BS-38229;3-methoxy-2-(prop-2-ynyloxy)benzaldehyde;3-Methoxy-2-(2-propyn-1-yloxy)benzaldehyde;BB 0243138;CS-0118869;3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde, AldrichCPR

Chemical Property of 3-Methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000371mmHg at 25°C
• Boiling Point: 318°C at 760 mmHg
• Flash Point: 137.1°C
• PSA: 35.53000
• Density: 1.146g/cm³
• LogP: 1.51970
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OCC#C)C=O

Technology Process of 3-Methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde

There total 1 articles about 3-Methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde 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: 96.0%

3-methoxy-2-hydroxybenzaldehyde (148-53-8) + propargyl bromide (106-96-7) → 3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde (58758-45-5)

Guidance literature:

3-methoxy-2-hydroxybenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h; Inert atmosphere;

propargyl bromide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201000828

Reference yield: 96.0%

4-chlorobenzaldehyde (104-88-1) + 3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde (58758-45-5) → 3-[2-(4-chloro-phenyl)-2-oxo-ethyl]-8-methoxy-chroman-4-one (1224712-86-0)

Guidance literature:

With C₉H₁₄NO₂S₂⁽¹⁺⁾*ClO₄^(1-); potassium carbonate; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja102130s

Reference yield: 93.0%

4-bromo-benzaldehyde (1122-91-4) + 3-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde (58758-45-5) → 3-[2-(4-bromo-phenyl)-2-oxo-ethyl]-8-methoxy-chroman-4-one (1224713-02-3)

Guidance literature:

With C₉H₁₄NO₂S₂⁽¹⁺⁾*ClO₄^(1-); potassium carbonate; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja102130s

upstream raw materials:

3-methoxy-2-hydroxybenzaldehyde

propargyl bromide

Downstream raw materials:

2-(3-methoxy-2-prop-2-ynyloxyphenyl)-4,5-dihydro-1,3-dithiole

5-{[3-methoxy-2-(2-propynyloxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

1,3-dimethyl-5-{[3-methoxy-2-(2-propynyloxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

2,4-dimethyl-9-methoxy-4,12b-dihydro-1H,7H-chromeno[4',3'-4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione