4-Propoxybenzaldehyde

Base Information

• Chemical Name: 4-Propoxybenzaldehyde
• CAS No.: 5736-85-6
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29124990
• NSC Number: 406729,32509
• UNII: 0OW6V9S3I7
• DSSTox Substance ID: DTXSID0063991
• Nikkaji Number: J30.714I
• Wikidata: Q81991152
• Mol file: 5736-85-6.mol

Synonyms:4-Propoxybenzaldehyde;5736-85-6;Benzaldehyde, 4-propoxy-;p-Propoxybenzaldehyde;4-n-Propoxybenzaldehyde;Propoxybenzaldehyde;Benzaldehyde, p-propoxy-;p-(n-Propoxy)benzaldehyde;p-n-Propoxybenzaldehyde;NSC 32509;4-N-propxybenzaldehyde;4-Propyloxybenzaldehyde;1,4-Propoxybenzaldehyde;MFCD00014134;NSC 406729;BRN 0743408;AI3-05518;0OW6V9S3I7;NSC-32509;NSC-406729;WLN: VHR DO3;4-08-00-00255 (Beilstein Handbook Reference);4-Propoxy benzaldehyde;4-n-propyloxybenzaldehyde;UNII-0OW6V9S3I7;4-Propoxybenzaldehyde, 97%;SCHEMBL541949;DTXSID0063991;CHOLESTEROLISOBUTYLCARBONATE;NSC32509;BBL027802;NSC406729;STK500953;AKOS000120853;CS-W020540;DS-4950;LS-25152;SY049847;FT-0635827;P0182;EN300-16098;Z53833128

Chemical Property of 4-Propoxybenzaldehyde

Chemical Property:

• Appearance/Colour: clear, very light yellow liquid
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 268 °C
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 263 °C at 760 mmHg
• Flash Point: 118.3 °C
• PSA: 26.30000
• Density: 1.038 g/cm³
• LogP: 2.28790
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• 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: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-propoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn， Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C=O
• Uses: 4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine.

Technology Process of 4-Propoxybenzaldehyde

There total 18 articles about 4-Propoxybenzaldehyde 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%

4-(2-propenyloxy)benzaldehyde (40663-68-1) → 4-propoxybenzaldehyde (5736-85-6)

Guidance literature:

With hydrogen; Pd on fibroin; In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1080/00397910701577612

Reference yield: 89.4%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + propyl bromide (106-94-5) → 4-propoxybenzaldehyde (5736-85-6)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1039/c3cc42636j

Reference yield: 83.0%

4-n-propyloxybenzyl alcohol (90925-43-2) → 4-propoxybenzaldehyde (5736-85-6)

Guidance literature:

With indium isopropoxide; pivalaldehyde; In chloroform; at 20 ℃; for 3h; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0035-1562542

upstream raw materials:

hexamethylenetetramine

(4-chloromethyl-phenyl)-propyl ether

4-hydroxy-benzaldehyde

propyl bromide

Downstream raw materials:

(E)-N'-(4-propoxybenzylidene)isonicotino hydrazide

diethyl-(4-propoxy-benzyl)-amine

2-(4-propoxyphenyl)-1H-benzo[d]imidazole

N-(4-propoxy-benzylidene)-p-phenetidine