3-(4-Chlorophenoxy)benzaldehyde

Base Information

• Chemical Name: 3-(4-Chlorophenoxy)benzaldehyde
• CAS No.: 69770-20-3
• Molecular Formula: C13H9 Cl O2
• Molecular Weight: 232.666
• Hs Code.: 2913000090
• European Community (EC) Number: 274-108-3
• UNII: HPE7KQ7BL4
• DSSTox Substance ID: DTXSID20220066
• Nikkaji Number: J150.116J
• Wikidata: Q83097143
• Mol file: 69770-20-3.mol

Synonyms:3-(4-Chlorophenoxy)benzaldehyde;69770-20-3;m-(p-Chlorophenoxy)benzaldehyde;Benzaldehyde, 3-(4-chlorophenoxy)-;3-(4-chlorophenoxy)-benzaldehyde;HPE7KQ7BL4;EINECS 274-108-3;UNII-HPE7KQ7BL4;SCHEMBL415226;DTXSID20220066;3-(4-chloranylphenoxy)benzaldehyde;3-(4-chloro-phenoxy)-benzaldehyde;3-(4-Chlorophenoxy)benzaldehyde #;AKOS009028818;SB85380;3-(4-Chlorophenoxy)benzaldehyde, 97%;AS-60767;CS-0269215;FT-0641254;EN300-18997;F78987;A836639;5-[(4-Methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonylchloride

Chemical Property of 3-(4-Chlorophenoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 1.12E-05mmHg at 25°C
• Refractive Index: n20/D 1.608(lit.)
• Boiling Point: 125 °C0.1 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.213 g/mL at 25 °C(lit.)
• LogP: 3.94480
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0291072
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chlorophenoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=O
• Uses: 3-(4-Chlorophenoxy)benzaldehyde was used in the synthesis of fatty acid amide hydrolase inhibitors bearing spirocyclic diamine cores.

Technology Process of 3-(4-Chlorophenoxy)benzaldehyde

There total 9 articles about 3-(4-Chlorophenoxy)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: 87.0%

tris(3-formylphenyl)bismuthine (146800-14-8) + 4-chloro-phenol (106-48-9,82344-39-6) → 3-(4-chlorophenoxy)benzaldehyde (69770-20-3)

Guidance literature:

With oxygen; copper diacetate; triethylamine; In dichloromethane; at 50 ℃; for 16h; Reagent/catalyst; Time; Sealed tube;

DOI:10.1002/chem.201303684

Reference yield: 81.0%

3-Formylphenylboronic acid (87199-16-4) + 4-chloro-phenol (106-48-9,82344-39-6) → 3-(4-chlorophenoxy)benzaldehyde (69770-20-3)

Guidance literature:

With pyridine; copper diacetate; In dichloromethane; at 20 ℃; for 45.5h; Molecular sieve;

DOI:10.1021/acs.jmedchem.7b00693

Reference yield: 36.0%

m-bromobenzoic aldehyde (3132-99-8) + 4-chloro-phenol (106-48-9,82344-39-6) → 3-(4-chlorophenoxy)benzaldehyde (69770-20-3)

Guidance literature:

With pyridine; quinoline; potassium carbonate; copper(II) oxide; at 170 ℃;

DOI:10.1016/j.bmc.2013.03.041

upstream raw materials:

m-bromobenzoic aldehyde

4-chloro-phenol

tris(3-formylphenyl)bismuthine

3-Formylphenylboronic acid

Downstream raw materials:

{Amino-[3-(4-chloro-phenoxy)-phenyl]-methyl}-phosphonic acid

5-((3-(4-Chlorophenoxy)phenyl)hydroxymethyl)-2',3',5'-tris-O-((1,1-dimethylethyl)dimethylsilyl)uridine

N-Methyl-N-(3-(4-chlorophenoxy)phenylmethyl)-2-aminoethanol

Ethyl 3-(3-(4-chlorphenoxy)phenyl)propynoate