2-Phenylpropanoyl chloride

Base Information

• Chemical Name: 2-Phenylpropanoyl chloride
• CAS No.: 22414-26-2
• Molecular Formula: C₉H₉ClO
• Molecular Weight: 168.623
• Hs Code.: 2916399090
• European Community (EC) Number: 625-056-9
• DSSTox Substance ID: DTXSID20375141
• Nikkaji Number: J1.181.610J
• Mol file: 22414-26-2.mol

Synonyms:2-phenylpropanoyl chloride;22414-26-2;2-Phenylpropionyl chloride;2-Phenyl-propionyl chloride;Hydratropoyl chloride;2-Phenylpropanoylchloride;SCHEMBL720886;2-Phenylpropanoic acid chloride;2-phenylpropionic acid chloride;DTXSID20375141;FOTITZRWZUAVPH-UHFFFAOYSA-N;alpha-phenylpropionic acid chloride;XAA41426;2-Phenylpropionyl chloride, >=95%;MFCD03424723;AKOS006282315;FS-6051;(+/-)-2-phenylpropionic acid chloride;FT-0745106;A910168;J-014699

Chemical Property of 2-Phenylpropanoyl chloride

Chemical Property:

• Melting Point: 112-114 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
• Boiling Point: 98-100 °C(Press: 15 Torr)
• PSA: 17.07000
• Density: 1.139±0.06 g/cm3(Predicted)
• LogP: 2.55550
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

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

2-Phenylpropionyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1938154
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylpropanoyl chloride

There total 14 articles about 2-Phenylpropanoyl 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%

hydratropic acid (492-37-5,2328-24-7) → 2-phenylpropionyl chloride (25145-43-1,36240-11-6,59981-93-0,22414-26-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 18h;

Reference yield: 78.0%

ester tertiobutylique de l'acide phenyl-2 propionique (2901-11-3) → 2-phenylpropionyl chloride (25145-43-1,36240-11-6,59981-93-0,22414-26-2)

Guidance literature:

With phosphorus trichloride; In acetonitrile; at 80 ℃; for 3h; Schlenk technique;

DOI:10.1177/1747519819898142

Reference yield:

oxalyl dichloride (79-37-8) + hydratropic acid (492-37-5,2328-24-7) → 2-phenylpropionyl chloride (25145-43-1,36240-11-6,59981-93-0,22414-26-2)

Guidance literature:

In dichloromethane;

upstream raw materials:

hydratropic acid

(RS)-2-phenyl-1-propanol

fraeseol

2-Phenylpropanal

Downstream raw materials:

2-phenyl-propionic acid 2,2'-piperazine-1,4-diyl-diethyl ester

α,γ-Dimethyl-γ-phenyl-allencarbonsaeure

2-Phenyl-propionic acid 5,6,7,8-tetrahydro-naphthalen-1-ylmethyl ester

β-{4-[2-(2-phenylpropionamido)-ethyl]-phenyl}-propionic acid

Refernces

• 1、 Zhang, Yun-Fei,Zhao, Hong-Wei,Wang, Hui,Wei, Jiang-Bo,Shi, Zhang-Jie. "Readily Removable Directing Group Assisted Chemo- and Regioselective C(sp3)-H Activation by Palladium Catalysis". . p. 13686 - 13690. Retrieved 2015.
• 2、 Engstrom,Greene. "". . p. 968,971. Retrieved 1972.
• 3、 -. "ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF". Paragraph 0067. . Retrieved 2021/11/04.
• 4、 Bobal, Pavel,Otevrel, Jan,Svestka, David. "One-pot method for the synthesis of 1-aryl-2-aminoalkanol derivatives from the corresponding amides or nitriles". . p. 25029 - 25045. Retrieved 2020/07/14.