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Diphenylacetonitrile

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CAS:86-29-3
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CAS:86-29-3
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Diphenylacetonitrile manufacturers

  • Diphenylacetonitrile
  • $20.00 / 1kg
  • 2022-06-22
  • CAS:86-29-3
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  • Purity: 99%
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  • Diphenylacetonitrile
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  • 2022-06-21
  • CAS:86-29-3
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  • Diphenylacetonitrile
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  • CAS:86-29-3
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Diphenylacetonitrile Basic information
Product Name:Diphenylacetonitrile
Synonyms:Diphenylacetonitrile, 99+% 100GR;Diphenylacetonitrile, 99+% 5GR;a-Phenylbenzeneacetonitrile;Diphenylaceton;Diphenylacetonitrile 99.5%min;Diphenylacetonitri;Diphenylacetonitrile≥ 99% (GC);Difenylacetonitril
CAS:86-29-3
MF:C14H11N
MW:193.25
EINECS:201-662-5
Product Categories:Pesticide intermediates;Aromatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;intermediates;Pharmaceutical Intermediates;Aromatic Nitriles;C10 to C27;Cyanides/Nitriles;Nitrogen Compounds;Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Chemical
Mol File:86-29-3.mol
Diphenylacetonitrile Structure
Diphenylacetonitrile Chemical Properties
Melting point 71-73 °C (lit.)
Boiling point 181 °C/12 mmHg (lit.)
density 1.1061 (rough estimate)
vapor pressure 21.3 hPa (190 °C)
refractive index 1.5850 (estimate)
Fp 120 °C
storage temp. Store below +30°C.
solubility INSOLUBLE
form Crystalline Powder
color White to creamy or faint yellow
Water Solubility INSOLUBLE
Merck 14,3316
BRN 1911160
InChIKeyNEBPTMCRLHKPOB-UHFFFAOYSA-N
CAS DataBase Reference86-29-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneacetonitrile, «alpha»-phenyl-(86-29-3)
EPA Substance Registry SystemDiphenylacetonitrile (86-29-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
WGK Germany 2
RTECS AL9800000
TSCA Yes
HS Code 29269095
ToxicityLD50 orally in Rabbit: 3500 mg/kg
MSDS Information
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Diphenylacetonitrile English
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Diphenylacetonitrile Usage And Synthesis
Chemical PropertiesDiphenylacetonitrile is a white to creamy or faint yellow crystalline powder, Soluble in ethanol, ether. It is obtained by bromination and condensation of phenylacetonitrile.Diphenylacetonitrile is mainly used as an intermediate to manufacture API which deals in treatment of respiratory stimulant. It is used to manufacture APIs like stomach amine, Aminepentamide Sulphate, Diphenoxylate, Diphenylacetaldehyde, Doxapram, Loperamide, Methadone.
UsesMathadone (M225865) impurity. Used in synthesis of methadone, antispasmodics and other pharmaceuticals.
Diphenylacetonitrile is used to synthesize isocyanate, which is further prepared into UV paint, PU paint, transparent elastomer and adhesive, etc. In addition, it is also used in polyamide and epoxy resin industries.
ApplicationDiphenylacetonitrile undergoes anhydrous condensation with ethyl-4-bromo-butyrate. This is followed by its hydrolysis in alkaline medium that is used in the quantitative determination of 3-cyano-3,3-diphenylpropionic acid.
PreparationDiphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride. Diphenylacetonitrile undergoes anhydrous condensation with ethyl-4-bromo-butyrate. This is followed by its hydrolysis in alkaline medium that is used in the quantitative determination of 3-cyano-3,3-diphenylpropionic acid.
ReactionsMethadone is synthesised by alkylation of diphenylacetonitrile using 2-dimethylaminopropylchloride in the presence of sodamide.
Dextromoramide is synthesised by alkylation of diphenylacetonitrile using 1-morpholinyl-2- chloropropane in the presence of sodamide.
Diphenylacetonitrile in the presence of sodium amide is alkylated with 1-ethyl-3-chlorpyrrolidine, giving (1-ethyl-3-pyrrolidinyl) diphenylacetonitrile.
Isopropamide, is synthesized by alkylating diphenylacetonitrile with di-isopropylaminoethylchloride in the presence of sodium amide, and the subsequent hydrolysis of the nitrile group of the resulting compound to an amide group.
Synthesis Reference(s)The Journal of Organic Chemistry, 35, p. 3253, 1970 DOI: 10.1021/jo00835a016
General Description
Diphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride.
Safety ProfilePoison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx, and CN-. See also NITRILES.
Chemical SynthesisAdd the 250mL ethyl acetate in 500mL glass there-necked flask, open and stir, add the 150g phenylcarbinol, add sodium methylate 80g, 70 ℃ of stirring reactions 2 hours are down to room temperature, add benzyl cyanide 120ml.Be heated to 110 ℃, distillation reaction 10h.Reaction naturally cools to room temperature after finishing, and adds the extraction of 200ml ethyl acetate and 200ml water, tells lower aqueous layer.The upper strata ethyl acetate layer adds water, and washing once adds anhydrous sodium sulfate drying.Concentrating under reduced pressure is removed ethyl acetate.Then in oily matter, add a small amount of dehydrated alcohol crystallisation by cooling, the crystallized product oven dry.Yield 90%, purity 99.0% (GC).
Purification MethodsCrystallise the nitrile from EtOH or pet ether (b 90-100o). [Beilstein 9 H 674, 9 IV 2505.]
Tag:Diphenylacetonitrile(86-29-3) Related Product Information
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