3-(Diethoxymethyl)benzaldehyde

Base Information

• Chemical Name: 3-(Diethoxymethyl)benzaldehyde
• CAS No.: 150990-60-6
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID70584509
• Wikidata: Q82476178
• Mol file: 150990-60-6.mol

Synonyms:3-(Diethoxymethyl)benzaldehyde;150990-60-6;3-Diethoxymethylbenzaldehyde;SCHEMBL2048449;DTXSID70584509;ZNUTVQHYWZPSSR-UHFFFAOYSA-N;3-(Diethoxymethyl)benzaldehyde, 97%;3-(DIETHOXYMETHYL)BENZALDEHYDE 97;J-008767

Chemical Property of 3-(Diethoxymethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00561mmHg at 25°C
• Refractive Index: n20/D 1.5050(lit.)
• Boiling Point: 160 °C35 mm Hg(lit.)
• Flash Point: 156 °F
• PSA: 35.53000
• Density: 1.024 g/mL at 25 °C(lit.)
• LogP: 2.57070
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

3-(Diethoxymethyl)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CC=CC(=C1)C=O)OCC

Technology Process of 3-(Diethoxymethyl)benzaldehyde

There total 4 articles about 3-(Diethoxymethyl)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: 99.0%

m-bromobenzoic aldehyde (3132-99-8) + orthoformic acid triethyl ester (122-51-0) → 3-(diethoxymethyl)benzaldehyde (150990-60-6)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 4h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1021/ic402470a

Reference yield: 76.0%

Isophthalaldehyde (626-19-7) + orthoformic acid triethyl ester (122-51-0) → 3-(diethoxymethyl)benzaldehyde (150990-60-6)

Guidance literature:

With ammonium chloride; In ethanol; at 0 - 40 ℃;

Reference yield:

Isophthalaldehyd-tetraaethyldiacetal (109255-10-9) → 3-(diethoxymethyl)benzaldehyde (150990-60-6)

Guidance literature:

With sulfuric acid; silica gel; In dichloromethane; at 20 ℃;

DOI:10.1016/j.saa.2015.04.072

upstream raw materials:

Isophthalaldehyde

orthoformic acid triethyl ester

m-bromobenzoic aldehyde

Isophthalaldehyd-tetraaethyldiacetal

Downstream raw materials:

methyl 2,3-bis(3-(diethoxymethyl)phenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate

ethyl 2,3-bis(3-(diethoxymethyl)phenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate

(E)-4-(3-(diethoxymethyl)benzylideneamino)isobenzofuran-1(3H)-one

(2E,5E)-2,5-bis(3-(diethoxymethyl) benzylidene)cyclopentanone