3-(4-Methoxyphenyl)propionyl chloride

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)propionyl chloride
• CAS No.: 15893-42-2
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90448790
• Nikkaji Number: J970.591K
• Wikidata: Q72517914
• Mol file: 15893-42-2.mol

Synonyms:15893-42-2;3-(4-Methoxyphenyl)propionyl chloride;3-(4-methoxyphenyl)propanoyl chloride;3-(4-methoxyphenyl)-propionyl chloride;SCHEMBL925662;p-methoxyhydrocinnamoyl chloride;4-methoxyphenylpropionyl chloride;4-methoxydihydrocinnamoyl chloride;DTXSID90448790;FQVJPHCAWYRYCK-UHFFFAOYSA-N;HEX-2-ENYLSUCCINICANHYDRIDE;3-(4-methoxyphenyl)propanoylchloride;MFCD02258671;AKOS009215874;3-(4-methoxy-phenyl)-propionyl chloride;3- (4-methoxy-phenyl)-propionyl chloride;3-(4-Methoxyphenyl)propionic acid chloride;EN300-239814;3-(4-Methoxyphenyl)propanoyl chloride, AldrichCPR;A853685;F2190-0137

Chemical Property of 3-(4-Methoxyphenyl)propionyl chloride

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 117-119?°C(lit.)
• Refractive Index: 1.519
• Boiling Point: 291.018 °C at 760 mmHg
• Flash Point: 108.379 °C
• PSA: 23.47000
• Density: 1.16 g/cm³
• LogP: 0.71060
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Methoxyphenyl)propanoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)Cl
• Uses: 3-(4-Methoxyphenyl)propionyl chloride is an important raw material and intermediate used in pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 3-(4-Methoxyphenyl)propionyl chloride

There total 6 articles about 3-(4-Methoxyphenyl)propionyl chloride 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-(4-methoxyphenyl)propanoic acid (1929-29-9) → 3-(4-methoxyphenyl)propionyl chloride (15893-42-2)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1016/j.ejmech.2005.02.011

Reference yield: 97.0%

→ 3-(4-methoxyphenyl)propionyl chloride (15893-42-2)

Guidance literature:

Reference yield:

(E)-3-(4-methoxyphenyl)acrylic acid (943-89-5) → 3-(4-methoxyphenyl)propionyl chloride (15893-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol / 3 h / 20 °C / 2250.18 Torr

2: SOCl₂ / CH₂Cl₂ / 1.5 h / Heating

With thionyl chloride; hydrogen; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm051111h

upstream raw materials:

3-(4-methoxyphenyl)propanoic acid

(E)-3-(4-methoxyphenyl)acrylic acid

methyl 3-(4-methoxyphenyl)propionate

4-methoxy-benzaldehyde

Downstream raw materials:

Diaethylstilboestrol-bis-β-(p-methoxyphenyl)-propionat

5-[3-(4-methoxyphenyl)propionyl]barbituric acid

1,7-bis<4-methoxyphenyl>-3-hepten-5-one

(5E,7E,9E)-N,N-tetramethylene-4,11-dihydroxy-13-(p-methoxyphenyl)-trideca-5,7,9-trienamide

Refernces

• 1、 Zhou, Yu,Fu, Yan,Yin, Wanchao,Li, Jian,Wang, Wei,Bai, Fang,Xu, Shengtao,Gong, Qi,Peng, Tao,Hong, Yu,Zhang, Dong,Zhang, Dan,Liu, Qiufeng,Xu, Yechun,Xu, H. Eric,Zhang, Haiyan,Jiang, Hualiang,Liu, Hong. "Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate". . p. 1844 - 1855. Retrieved 2021/03/01.
• 2、 Pulikottil, Feba Thomas,Pilli, Ramadevi,Suku, Rohith Valavil,Rasappan, Ramesh. "Nickel-Catalyzed Cross-Coupling of Alkyl Carboxylic Acid Derivatives with Pyridinium Salts via C-N Bond Cleavage". supporting information. p. 2902 - 2907. Retrieved 2020/04/09.