2-(4-Chlorophenyl)propanoic acid

Base Information

• Chemical Name: 2-(4-Chlorophenyl)propanoic acid
• CAS No.: 938-95-4
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2916399090
• European Community (EC) Number: 213-351-1
• DSSTox Substance ID: DTXSID10912625
• Nikkaji Number: J298.535G,J66.115E
• Mol file: 938-95-4.mol

Synonyms:2-(4-Chlorophenyl)propanoic acid;938-95-4;4-Chloro-alpha-methylphenylacetic acid;2-(4-Chlorophenyl)propionic Acid;MFCD00044670;DL-2-(4-Chlorophenyl)propanoic acid;EINECS 213-351-1;4-Chloro-a-methyl-benzeneacetic acid;dl-p-Chloro-.alpha.-methylphenylacetic acid;Benzeneacetic acid, 4-chloro-.alpha.-methyl-;DL-4-Chloro-alpha-methylphenylacetic acid;2-(4-Chloro-phenyl)-propionic acid;DL-2-(4-chlorophenyl)propan-oic acid;(?)-p-Chlorohydratropic acid;SCHEMBL121108;a-(p-chlorophenyl)propionic acid;YOZILQVNIWNPFP-UHFFFAOYSA-;DTXSID10912625;4-Chloro-a-methylphenylacetic acid;(4-chloromethyl phenyl)acetic acid;2-(4-chlorophenyl) propanoic acid;2-(4-chlorophenyl)-propionic acid;(PYRROLYL-3)-4BUTANOICACID;4-Chloro-alpha-methylphenylaceticacid;BBL103835;STL557645;AKOS005207114;.alpha.-(p-Chlorophenyl)propionic acid;4-Chloro-alpha-methylbenzeneacetic acid;p-chloro(alpha-methyl)phenylacetic acid;(4-CHLOROMETHYLPHENYL)ACETIC ACID;4-Chloro-.alpha.-methylphenylacetic acid;p-Chloro-.alpha.-methylphenylacetic acid;TS-02573;DL-4-Chloro-alpha-Methyl Phenylacetic Acid;CS-0135780;DL-4-Chloro- alpha -methylphenylacetic acid;FT-0618159;EN300-114385;DL-4-Chloro-alpha-methylphenylacetic acid, 96%;A844730;Z982129848

Chemical Property of 2-(4-Chlorophenyl)propanoic acid

Chemical Property:

• Melting Point: 57-61 °C
• Boiling Point: 297.4 °C at 760 mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 133.6 °C
• Density: 1.263 g/cm³
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

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

2-(4-Chlorophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O
• Uses: 4-Chloro-alpha-methylphenylacetic acid is used to produce a-(4-Chlor-3-nitrophenyl)propionsaure. It is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

Technology Process of 2-(4-Chlorophenyl)propanoic acid

There total 43 articles about 2-(4-Chlorophenyl)propanoic acid 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: 97.0%

2-(4-chloro-phenyl)-thiopropionic acid S-methyl ester (197314-06-0) → 2-(4-Chloro-phenyl)-propionic acid (938-95-4)

Guidance literature:

With potassium hydroxide; In acetone; for 2h; Heating;

DOI:10.1055/s-2002-28521

Reference yield: 90.0%

2-hydroxy-2-(4-chlorophenyl)-propanenitrile (53066-09-4) → 2-(4-Chloro-phenyl)-propionic acid (938-95-4)

Guidance literature:

With water; hydrogen iodide; at 90 ℃; for 12h;

DOI:10.1016/j.tet.2009.01.005

Reference yield: 89.0%

2-hydroxy-2-(4-chlorophenyl)propanoic acid (4445-13-0) → 2-(4-Chloro-phenyl)-propionic acid (938-95-4)

Guidance literature:

With hydrogen iodide; In water; at 90 ℃; for 18h;

DOI:10.1016/j.tet.2009.01.005

upstream raw materials:

1-(4-chlorophenyl)-2-diazo-propan-1-one

4-vinylbenzyl chloride

formic acid

4-n-chlorophenylacetylene

Downstream raw materials:

p-Chloro-β-methylphenethyl alcohol

di(1-naphthyl)methyl (R)-2-(4-chlorophenyl)propanoate

(S)-4-chloro-α-methylphenylacetic acid

2(R)-(-)-4-chlorophenylpropanoic acid

Refernces

• 1、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 2、 Wang, Fei,Nishimoto, Yoshihiro,Yasuda, Makoto. "Insertion of Diazo Esters into C-F Bonds toward Diastereoselective One-Carbon Elongation of Benzylic Fluorides: Unprecedented BF3Catalysis with C-F Bond Cleavage and Re-formation". supporting information. p. 20616 - 20621. Retrieved 2021/11/23.