86233-09-2

Basic information

• Product Name: 2-Benzyl-4-bromoaniline
• Synonyms: 2-Benzyl-4-bromoaniline
• CAS NO: 86233-09-2
• Molecular Formula: C₁₃H₁₂BrN
• Molecular Weight: 262.149
• Mol File: 86233-09-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Benzyl-4-bromoaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Benzyl-4-bromoaniline(86233-09-2)
• EPA Substance Registry System: 2-Benzyl-4-bromoaniline(86233-09-2)

Safety Data

• Hazardous Substances Data: 86233-09-2(Hazardous Substances Data)

Upstream product

• 106-40-1 4-bromo-aniline 
• 103-88-8 4-bromoacetanilide 
• 39572-29-7 8-Bromo-6-phenyl-1,2,3,4-tetrahydro-1,4,5-benzotriazocin-2-one 
• 39573-18-7 2-amino-5-bromobenzophenone hydrazone 

Downstream Products

• 1133-80-8 2-bromo-9H-fluorene 
• 1378387-81-5 1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone 

Relevant articles and documents

Preparation method of Ledipasvir key intermediate

The invention provides a preparation method of a Ledipasvir key intermediate 7-bromo-2-(chloracetyl)-9,9-difluorofluorene. 4-bromaniline is used as an initial raw material, by virtue of aminoacetylation and benzyl-chlorophene alkylation, acetyl in the concentrated hydrochloric acid is removed, the diazotization coupling is performed under the catalysis of copper to obtain 2-bromofluorene, then the2-bromofluorene and a fluorine reagent react to obtain 7-bromo-9,9-difluorofluorene, finally the 7-bromo-9,9-difluorofluorene has Friedel-Crafts acylation reaction with chloroacetyl chloride to obtain an intermediate 7-bromo-2-(chloracetyl)-9,9-difluorofluorene. The preparation method of the invention is short in synthetic route, safe in process, simple and convenient in operation, low in raw material cost and capable of meeting the industrialized production requirement.

PROPERTIES OF 1,4,5-BENZOTRIAZOCINES

The chemical transformations of 1,2,3,4-tetrahydro-1,4,5-benzotriazocin-2-ones that involve the heteroring, viz., alkylation, acylation, reduction, solvolysis, etc., were studied.Data from the IR, PMR, and mass spectra of the synthesized compounds are presented.The ionization constants of a number of 1,4,5-benzotriazocin-2-ones were determined.

2-(Imidazol-1-yl)benzophenones

Compounds of formula II SPC1 and its phthalimide derivative III: SPC2 wherein R0 and R1 are hydrogen or alkyl of 1 to 3 carbon atoms, inclusive; wherein R2 is hydrogen, chloro, fluoro, or trifluoromethyl; wherein R3/

2-(Imidazol-1-yl)benzophenones

Compounds of the formulae IV and V: SPC1 wherein Ro and R1 are hydrogen or alkyl of 1 to 3 carbon atoms, inclusive; wherein R2 is hydrogen, fluoro, chloro, or trifluoromethyl; wherein R3 is hydrogen or fluoro with the proviso that R3 cannot be fluoro, if R2 is chloro or trifluoromethyl; and wherein R4 is hydrogen, fluoro, chloro, bromo, trifluoromethyl, or nitro, are obtained by a multi-step reaction from the corresponding α-(phenyl)-o-toluidine of the formula I SPC2 wherein R2, R3, and R4 are defined as above, by treating I in sequence with an alkyl ester of orthoformic acid the resulting product with 2-alkyl-2-(aminoalkyl)-1,3-dioxolane or a 2-amino-alkanone dialkyl ketal and finally with titanium tetrachloride to obtain compound IV, and oxidizing compound IV to obtain the corresponding compound V. Compounds IV and V have minor tranquilizing activity which can be utilized to calm mammals or birds. Their more important use, however, is as intermediates in the production of the strongly sedating and tranquilizing imidazolobenzodiazepines.