3-(3-Chlorophenyl)propionaldehyde

Base Information

• Chemical Name: 3-(3-Chlorophenyl)propionaldehyde
• CAS No.: 136415-83-3
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.623
• Hs Code.: 2913000090
• European Community (EC) Number: 686-921-4
• DSSTox Substance ID: DTXSID50439543
• Wikidata: Q82255514
• Mol file: 136415-83-3.mol

Synonyms:136415-83-3;3-(3-chlorophenyl)propanal;3-(3-CHLOROPHENYL)PROPIONALDEHYDE;3-(3-Chloro-phenyl)-propionaldehyde;BENZENEPROPANAL, 3-CHLORO-;(3-CHLOROPHENYL)PROPAN-1-ONE;MFCD07772911;Benzenepropanal,3-chloro-;SCHEMBL67484;2-(3-Chlorobenzyl)acetaldehyde;DTXSID50439543;GAMNINPBAOTMLA-UHFFFAOYSA-N;3-(3'-Chlorophenyl)propionaldehyde;AB6892;AKOS011896099;AB42275;3-(3-Chlorophenyl)propionaldehyde, 95%;FT-0757973;EN300-1231539;Z993017744

Chemical Property of 3-(3-Chlorophenyl)propionaldehyde

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 238.6°Cat760mmHg
• Flash Point: 117.1°C
• PSA: 17.07000
• Density: 1.139g/cm³
• LogP: 2.47150
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

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

3-(3-Chlorophenyl)propionaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCC=O

Technology Process of 3-(3-Chlorophenyl)propionaldehyde

There total 16 articles about 3-(3-Chlorophenyl)propionaldehyde 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%

3-iodochlorobenzene (625-99-0) + allyl alcohol (107-18-6) → 3-(3-chlorophenyl)propanal (136415-83-3)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1016/j.bmcl.2009.05.119

Reference yield: 95.0%

carbon monoxide (201230-82-2) + 3-Chlorostyrene (2039-85-2,26100-04-9) → 3-(3-chlorophenyl)propanal (136415-83-3) + 3-chloro-α-methylphenylacetaldehyde (947732-85-6)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

Reference yield: 76.0%

3-(3-chlorophenyl)propanol (22991-03-3) → 3-(3-chlorophenyl)propanal (136415-83-3)

Guidance literature:

With sIBX; In ethyl acetate; for 3h; Reflux;

DOI:10.1002/ejoc.201500452

upstream raw materials:

3-(3-chlorophenyl)propanol

3-iodochlorobenzene

allyl alcohol

carbon monoxide

Downstream raw materials:

1-chloro-3-(4,4-dibromobut-3-en-1-yl)benzene

1-but-3-yn-1-yl-3-chlorobenzene

N,N-diethyl-5-(3-chlorophenyl)-2-pentynamide

3-[2-(3-chlorophenyl)ethyl]-5-phenyl-2-pyridinecarboxaldehyde

Refernces

• 1、 Huang, Jiaxin,Li, Jie,Yang, Wen,Zhang, Kezhuo,Zhao, Pei,Zhao, Wanxiang. "Ligand-controlled cobalt-catalyzed remote hydroboration and alkene isomerization of allylic siloxanes". supporting information. p. 302 - 305. Retrieved 2022/01/03.
• 2、 Chen, Fen-Er,Gao, Peng,Ke, Miaolin,Liang, Guanfeng,Ru, Tong. "Synthesis of rac-ɑ-aryl propionaldehydes via branched-selective hydroformylation of terminal arylalkenes using water-soluble Rh-PNP catalyst". . . Retrieved 2021/08/26.