3-Hydroxy-2,2-diphenylpropionic acid

Base Information

• Chemical Name: 3-Hydroxy-2,2-diphenylpropionic acid
• CAS No.: 4448-72-0
• Molecular Formula: C15H14 O3
• Molecular Weight: 242.274
• Hs Code.: 2918199090
• European Community (EC) Number: 224-689-4
• NSC Number: 16302
• UNII: 2XN606Z8DI
• DSSTox Substance ID: DTXSID70196186
• Nikkaji Number: J205.836G
• Wikidata: Q27189052
• ChEMBL ID: CHEMBL1889262
• Mol file: 4448-72-0.mol

Synonyms:3-Hydroxy-2,2-diphenylpropionic acid;4448-72-0;3-hydroxy-2,2-diphenylpropanoic acid;2XN606Z8DI;EINECS 224-689-4;NSC-16302;NSC16302;3-hydroxy-2,2-diphenyl-propionic acid;UNII-2XN606Z8DI;MLS001075457;SCHEMBL6384616;CHEMBL1889262;.ALPHA.-PHENYLTROPIC ACID;DTXSID70196186;CHEBI:109767;HMS2193P05;HMS3343J10;NSC 16302;NCGC00247444-01;SMR000639476;alpha-Hydroxymethyl-alpha-phenylbenzeneacetic acid;Q27189052;.ALPHA.-(HYDROXYMETHYL)-.ALPHA.-PHENYLBENZENEACETIC ACID;BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-.ALPHA.-PHENYL-

Chemical Property of 3-Hydroxy-2,2-diphenylpropionic acid

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Boiling Point: 344.2°C at 760 mmHg
• Flash Point: 176.1°C
• PSA: 57.53000
• Density: 1.243g/cm³
• LogP: 2.04960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CO)(C2=CC=CC=C2)C(=O)O

Technology Process of 3-Hydroxy-2,2-diphenylpropionic acid

There total 4 articles about 3-Hydroxy-2,2-diphenylpropionic 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2-diphenylacetic acid (117-34-0) → 3-hydroxy-2,2-diphenyl-propionic acid (4448-72-0)

Guidance literature:

With isopropylmagnesium chloride;

DOI:10.1021/ja01127a036

Reference yield:

3-bromo-2,2-diphenyl-propionic acid (25209-37-4) → 3-hydroxy-2,2-diphenyl-propionic acid (4448-72-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01163a056

Reference yield:

3-chloro-2,2-diphenyl-propionic acid (25209-42-1) → 3-hydroxy-2,2-diphenyl-propionic acid (4448-72-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01163a056

upstream raw materials:

formaldehyd

2,2-diphenylacetic acid

3-bromo-2,2-diphenyl-propionic acid

3-chloro-2,2-diphenyl-propionic acid

Downstream raw materials:

2,2-diphenyl-1,3-propanediol

1-(3-acetoxy-2,2-diphenyl-propionyl)-4-methyl-piperazine

3-cyclohexylcarbamoyloxy-2,2-diphenyl-propionic acid

ethyl (Z)-2,3-diphenyl-2-propenoate

Refernces