ChemicalBook--->CAS DataBase List--->91-00-9

91-00-9

91-00-9 Structure

91-00-9 Structure
IdentificationMore
[Name]

Aminodiphenylmethane
[CAS]

91-00-9
[Synonyms]

1,1-DIPHENYLMETHYLAMINE
ALPHA-AMINODIPHENYLMETHANE
AMINODIPHENYLMETHANE
AURORA KA-7667
BENZHYDRYLAMINE
phenylbenzenemethanamine
TIMTEC-BB SBB006574
alpha-phenyl-benzenemethanamin
alpha-phenylbenzenemethanamine
alpha-Phenylbenzylamine
Benzenemethanamine, alpha-phenyl-
Methanamine, 1,1-diphenyl-
Methylamine, 1,1-diphenyl-
A-Aminodiphenylmethane
BENZHYDRYLAMINE FREE BASE
BENZHYDRYLAMINE PURUM 95%
Aminodiphenylmethane Benzhydrylamine
Benzhydrylamine,97%
Benzhydralamine
benzohydrylamine
[EINECS(EC#)]

202-032-2
[Molecular Formula]

C13H13N
[MDL Number]

MFCD00008059
[Molecular Weight]

183.25
[MOL File]

91-00-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid
[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. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Chloroform, DMSO, Methanol
[form ]

Liquid
[pka]

8.41±0.10(Predicted)
[color ]

Clear colorless to yellow
[Specific Gravity]

1.063
[Water Solubility ]

Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
[Sensitive ]

Air Sensitive
[Detection Methods]

GC
[Merck ]

14,1076
[BRN ]

776434
[InChI]

1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
[InChIKey]

MGHPNCMVUAKAIE-UHFFFAOYSA-N
[SMILES]

NC(c1ccccc1)c2ccccc2
[CAS DataBase Reference]

91-00-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Aminodiphenylmethane(91-00-9)
[Storage Precautions]

Air sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

DA4407300
[F ]

9-23
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29214900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

1-Boc-hexahydro-1,4-diazepine-->Azetidine-->3-N-Boc-amino-azetidine-->1-Boc-3-(Amino)azetidine-->4-Aminobenzamidine dihydrochloride-->Azetidine hydrochloride-->Azetidin-3-ol-->3-Hydroxyazetidine hydrochloride-->1-Benzhydrylazetidine-3-carboxylic acid-->Auramine O-->Nafarelin-->N-(Benzhydrylidene)benzhydrylamine-->1-Benzhydrylazetidin-3-one-->Benzhydryl isothiocyanate-->2-Bromo-N-(diphenylmethyl)propanamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Phenylbenzenemethanamine(91-00-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

Benzhydrylamine is useful 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
[Synthesis]

1) 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 DEG 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 DEG 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 Methods]

Crystallise 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Aminodiphenylmethane(91-00-9)MS
Aminodiphenylmethane(91-00-9)1HNMR
Aminodiphenylmethane(91-00-9)13CNMR
Aminodiphenylmethane(91-00-9)IR1
Aminodiphenylmethane(91-00-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Aminodiphenylmethane, 97%(91-00-9)
[Alfa Aesar]

Benzhydrylamine, 97%(91-00-9)
[Sigma Aldrich]

91-00-9(sigmaaldrich)
[TCI AMERICA]

Benzhydrylamine,>97.0%(GC)(T)(91-00-9)
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