Diphenylacetyl chloride

Base Information

• Chemical Name: Diphenylacetyl chloride
• CAS No.: 1871-76-7
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 29163900
• European Community (EC) Number: 217-493-5
• NSC Number: 120906
• UNII: 6553C1CB9S
• DSSTox Substance ID: DTXSID30171979
• Nikkaji Number: J90.804E
• Wikidata: Q27263827
• Mol file: 1871-76-7.mol

Synonyms:Diphenylacetyl chloride;1871-76-7;2,2-Diphenylacetyl chloride;Diphenylacetylchloride;Diphenylacetic acid chloride;DPAC;Acetyl chloride, diphenyl-;alpha-Phenylbenzeneacetyl chloride;EINECS 217-493-5;2,2-diphenylacetylchloride;NSC 120906;Benzeneacetyl chloride, .alpha.-phenyl-;BRN 1211588;UNII-6553C1CB9S;6553C1CB9S;Benzeneacetyl chloride, alpha-phenyl-;NSC-120906;.alpha.,.alpha.-Diphenylacetyl chloride;3-09-00-03300 (Beilstein Handbook Reference);A-Phenylbenzeneacetyl Chloride;MFCD00013655;diphenyl acetyl chloride;diphenyl-acetyl chloride;2,2-diphenylacetic chloride;2,2-diphenyl-acetyl chloride;SCHEMBL237104;2,2-diphenylacetic acid chloride;DTXSID30171979;2,2-diphenyl acetic acid chloride;alpha,alpha-Diphenylacetyl chloride;BBL027800;GEO-02786;NSC120906;STL373479;AKOS015889497;AS-15886;.ALPHA.-PHENYLBENZENEACETYL CHLORIDE;D2763;FT-0625251;DIPHENYLACETIC ACID ACID CHLORIDE [MI];Diphenylacetyl chloride, 90%, technical grade;F20395;A813123;Q-201007;Q27263827

Chemical Property of Diphenylacetyl chloride

Chemical Property:

• Appearance/Colour: slightly yellow crystalline powder
• Vapor Pressure: 0.000852mmHg at 25°C
• Melting Point: 49-53 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 304.9 °C at 760 mmHg
• Flash Point: 154.9 °C
• PSA: 17.07000
• Density: 1.185 g/cm³
• LogP: 3.58390
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

99.9% ^*data from raw suppliers

Diphenylacetyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)Cl
• Uses: Diphenylacetyl Chloride is a reagent used in the synthesis of β-lactam estrogen receptor antagonists promoting antiproliferative and anti-tubulin polymerizatiion activity. Diphenylacetyl chloride was used as a reagent in regioselective acylation of cyclomalto-oligosaccharides. It was also used in the preparation of N-substituted amides having local anesthetic properties.

Technology Process of Diphenylacetyl chloride

There total 21 articles about Diphenylacetyl 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: 99.0%

2,2-diphenylacetic acid (117-34-0) → diphenylacetic acid chloride (1871-76-7)

Guidance literature:

With thionyl chloride;

Reference yield:

2-anilino-2-oxoacetyl chloride (121342-36-7) + diphenyl ketene (525-06-4) → diphenylacetic acid chloride (1871-76-7) + N,N'-Diphenyloxamid (620-81-5) + N,N-diphenylurea (603-54-3)

Guidance literature:

at 100 ℃;

Reference yield:

diphenyl ketene (525-06-4) + phenylcarbamic acid chloride (2040-76-8) → diphenylacetic acid chloride (1871-76-7) + phenyl isocyanate (103-71-9)

Guidance literature:

at 100 ℃;

upstream raw materials:

2,2-diphenylacetic acid

succinoyl dichloride

diphenyl ketene

2-anilino-2-oxoacetyl chloride

Downstream raw materials:

N-(2,2-diphenylacetyl)pyrrolidine

3-chloro-1,1-diphenyl-acetone

3-bromo-1,1-diphenylpropan-2-one

3-diazo-1,1-diphenyl-2-propanone

Refernces

• 1、 Park, Jin H.,Chung, Tim S.,Hipwell, Vince M.,Rivera, Edris,Garcia-Garibay, Miguel A.. "Transient Kinetics and Quantum Yield Studies of Nanocrystalline α-Phenyl-Substituted Ketones: Sorting Out Reactions from Singlet and Triplet Excited States". . p. 8192 - 8197. Retrieved 2018.
• 2、 Saturnino, Carmela,Capasso, Anna,Lancelot, Jean-Chanles,Rault, Sylvain,Buonerba, Mariafrancesca,De Martino, Giovanni. "Pharmacological studies and synthesis of morpholino alkyl derivatives". . p. 1151 - 1154. Retrieved 2002.
• 3、 -. "RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF". Paragraph 0137; 0145; 0148-0149. . Retrieved 2021/01/28.
• 4、 Fang, Hai-Lian,He, Jie-Ling,Li, Wei-Yi,Liu, Shan-Shan,Ni, Wei-Wei,Pan, Xing-Ming,Xiao, Zhu-Ping,Ye, Ya-Xi,Yi, Juan,Zhou, Mi,Zhou, Tian-Li,Zhu, Hai-Liang. "N-monoarylacetothioureas as potent urease inhibitors: synthesis, SAR, and biological evaluation". . p. 404 - 413. Retrieved 2020/01/03.