4-(Allyloxy)benzaldehyde

Base Information

• Chemical Name: 4-(Allyloxy)benzaldehyde
• CAS No.: 40663-68-1
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2912499000
• European Community (EC) Number: 255-027-2
• NSC Number: 44013
• DSSTox Substance ID: DTXSID70193655
• Nikkaji Number: J101.421H
• Wikidata: Q72437332
• Mol file: 40663-68-1.mol

Synonyms:4-Allyloxybenzaldehyde;40663-68-1;4-(Allyloxy)benzaldehyde;p-(Allyloxy)benzaldehyde;Benzaldehyde, 4-(2-propenyloxy)-;4-prop-2-enoxybenzaldehyde;4-(prop-2-en-1-yloxy)benzaldehyde;EINECS 255-027-2;MFCD00014133;p-Allyloxybenzaldehyde;4-(Prop-2-enoxy)benzaldehyde;Allyl 4-formylphenyl ether;Allyl p-formylphenyl ether;NSC 44013;NSC44013;4-allyloxybenzaldehyd;4-allyloxy benzaldehyde;4-Allyloxybenzaldehyde, 97%;SCHEMBL268446;2-Methoxy-4-fluorobenzylcyanide;DTXSID70193655;4-(2-propen-1-yloxy)benzaldehyde;BCP27979;NSC-44013;STK030334;AKOS000120945;NCGC00335020-01;AS-58324;CS-0019115;FT-0616685;FT-0617415;EN300-16178;E89330;AB01326999-02;A825221;Z54337085

Chemical Property of 4-(Allyloxy)benzaldehyde

Chemical Property:

• Appearance/Colour: Clear slightly yellow viscous liquid
• Vapor Pressure: 0.00366mmHg at 25°C
• Melting Point: 150-152 °C
• Refractive Index: n20/D 1.568(lit.)
• Boiling Point: 281 °C at 760 mmHg
• Flash Point: 126.9 °C
• PSA: 26.30000
• Density: 1.058 g/cm³
• LogP: 2.06390
• Sensitive.: Air Sensitive
• Water Solubility.: Immiscible in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

4-(Allyloxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-36/38
• Safety Statements: 36/37-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCOC1=CC=C(C=C1)C=O
• Uses: 4-Allyloxybenzaldehyde is used as pharmaceutical intermediates. 4-Allyloxybenzaldehyde may be used in the preparation of:4,6,4′,6′-O-di-4-allyloxybenzylidene-α,α-D-trehalose3-allyl-4-hydroxybenzaldehyde(±)-4-allyloxymethamphetamine (ALLMA)

Technology Process of 4-(Allyloxy)benzaldehyde

There total 31 articles about 4-(Allyloxy)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: 98.0%

salicylaldehyde (90-02-8) + allyl bromide (106-95-6) → 4-(2-propenyloxy)benzaldehyde (40663-68-1)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; for 3h; Heating;

DOI:10.1055/s-2008-1032119

Reference yield: 97.0%

2-(4'-allyloxyphenyl)-1,3-dithiane → 4-(2-propenyloxy)benzaldehyde (40663-68-1)

Guidance literature:

2-(4'-allyloxyphenyl)-1,3-dithiane; With acetyl chloride; sodium nitrite; In dichloromethane; at 0 - 5 ℃; for 0.25h;

With water; In dichloromethane; at 0 - 20 ℃; for 0.416667h;

DOI:10.1055/s-2003-37115

Reference yield: 96.0%

4-allyloxybenzyl alcohol (3256-45-9) → 4-(2-propenyloxy)benzaldehyde (40663-68-1)

Guidance literature:

With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(ll) bromide; at 60 ℃; for 15h;

upstream raw materials:

4-hydroxy-benzaldehyde

allyl bromide

3-chloroprop-1-ene

allyl iodid

Downstream raw materials:

isonicotinic acid-(4-allyloxy-benzylidenehydrazide)

trans-4-Allyloxy-β-nitrostyrol

(E)-4-(4-Allyloxy-phenyl)-1-morpholin-4-yl-but-3-en-2-one

meso-tetrakis<4-(allyloxy)phenyl>porphyrin

Refernces

• 1、 Kathe, Prasad M.,Berkefeld, Andreas,Fleischer, Ivana. "Nickel Hydride Catalyzed Cleavage of Allyl Ethers Induced by Isomerization". supporting information. p. 1629 - 1632. Retrieved 2021/02/09.
• 2、 Alavi, Seyed Jamal,Seyedi, Seyed Mohammad,Saberi, Satar,Safdari, Hadi,Eshghi, Hossein,Sadeghian, Hamid. "Allylphenols as a new class of human 15-lipoxygenase-1 inhibitors". . p. 259 - 266. Retrieved 2020/10/12.