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Benzhydrylamine

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CAS:91-00-9
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CAS:91-00-9
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CAS:91-00-9
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Products Intro: Product Name:Benzhydrylamine
CAS:91-00-9
Purity:98% HPLC Package:5MG;10MG;50MG;100MG,1G,5G

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Benzhydrylamine Basic information
Product Name:Benzhydrylamine
Synonyms:a-Phenylbenzenemethanamine;a-Phenylbenzylamine;Aminodiphenylmethane ,99.5%;Aminodiphenylmethane,90%,tech.;Aminodiphenylmethane,97%;Aminodiphenylmethane ,99%;Aminodiphenylmethane ,98%;|á-Aminodiphenylmethane
CAS:91-00-9
MF:C13H13N
MW:183.25
EINECS:202-032-2
Product Categories:Amines;Aromatics;Benzene series;Pharmaceutical Intermediates
Mol File:91-00-9.mol
Benzhydrylamine Structure
Benzhydrylamine Chemical Properties
Melting point 12 °C (lit.)
Boiling point 295 °C (lit.)
density 1.063 g/mL at 25 °C (lit.)
refractive index n20/D 1.595(lit.)
Fp >230 °F
storage temp. under inert gas (nitrogen or Argon) at 2–8 °C
solubility Chloroform, DMSO, Methanol
pka8.41±0.10(Predicted)
form Liquid
color Clear colorless to yellow
Specific Gravity1.063
Water Solubility Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
Sensitive Air Sensitive
Merck 14,1076
BRN 776434
InChI1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
InChIKeyMGHPNCMVUAKAIE-UHFFFAOYSA-N
SMILESNC(c1ccccc1)c2ccccc2
CAS DataBase Reference91-00-9(CAS DataBase Reference)
NIST Chemistry ReferenceAminodiphenylmethane(91-00-9)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38
Safety Statements 26-36
RIDADR 2810
WGK Germany 3
RTECS DA4407300
9-23
HazardClass 8
PackingGroup III
HS Code 29214990
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
Phenylbenzenemethanamine English
ACROS English
SigmaAldrich English
ALFA English
Benzhydrylamine Usage And Synthesis
Chemical PropertiesColorless liquid
UsesBenzhydrylamine is fine-chemical intermediate used for chiral resolution. It acts as an active pharmaceutical ingredient intermediate. It is also employed as a building block for chemical synthesis. Further, it is used in the preparation of furan-2-carboxylic acid benzhydrylamide by reacting with furan-2-carbonyl chloride.
Synthesis Reference(s)Tetrahedron Letters, 27, p. 3033, 1986 DOI: 10.1016/S0040-4039(00)84709-7
Synthesis1) synthesis of diphenylketoxime
After benzophenone 10g, oxammonium hydrochloride 6g, 95% ethanol 20mL are put into reaction flask stirring and dissolving, gradation adds sodium hydrate solid 11g.Finish, reaction solution is heated to 88°C of reaction 2h, then pours in dilute hydrochloric acid solution by reaction solution, occurs white solid, filter to obtain diphenylketoxime 10.7g, yield 99%.
2) synthesis of benzhydrylamine
Diphenylketoxime 0.25g, 95% ethanol 5mL are put into reaction flask, after solution change is clear, adds concentration into 5 × 10 7cFU/mL waxy Bacillus solution 50mL, constant temperature 30°C (rotating speed 200r/min) oscillatory reaction in shaking table.TLC detect without raw material time, add appropriate diatomite in reaction solution and carry out centrifugation, get supernatant liquid acidifying, with dichloromethane extraction, aqueous layer basified and with dichloromethane extraction concentrate to obtain benzhydrylamine 9.0g, yield 91%.
Purification MethodsCrystallise the amine from H2O. The free base absorbs CO2 from the atmosphere; store it accordingly. The hydrochloride M 219.7 m 293-295o, crystallises from H2O. [Beilstein 12 H 1323, 12 IV 3282.]
Tag:Benzhydrylamine(91-00-9) Related Product Information
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