39996-22-0

Basic information

• Product Name: (2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE
• Synonyms: (2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE
• CAS NO: 39996-22-0
• Molecular Formula: C₁₅H₁₅NO₃
• Molecular Weight: 257.28
• Mol File: 39996-22-0.mol

Chemical Properties

• Boiling Point: 461.3±45.0 °C(Predicted)
• Appearance: /
• Density: 1.181±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 0.99±0.13(Predicted)
• CAS DataBase Reference: (2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: (2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE(39996-22-0)
• EPA Substance Registry System: (2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE(39996-22-0)

Safety Data

• Hazardous Substances Data: 39996-22-0(Hazardous Substances Data)

Usage

Uses

Used in Research Applications:
(2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE is used as a research chemical for studying the effects of hallucinogenic substances on the human brain and their potential therapeutic applications. Its structural similarity to mescaline allows researchers to investigate the mechanisms of action and potential benefits of these types of compounds.
Used in Pharmaceutical Development:
(2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE is used as a starting point for the development of new pharmaceuticals that may have potential therapeutic applications. Its unique properties and effects on the human brain can provide valuable insights into the development of new treatments for various mental health conditions.
Used in Forensic Analysis:
(2-AMINO-4,5-DIMETHOXY-PHENYL)-PHENYL-METHANONE is used in forensic analysis to identify and analyze the presence of this substance in biological samples, such as blood or urine. This can be important in cases where the substance may have been involved in illegal activities or for determining the cause of death in cases of drug overdose.

Upstream product

• 108-86-1 bromobenzene 
• 26961-27-3 2-amino-4,5-dimethoxybenzonitrile 
• 100-58-3 phenylmagnesium bromide 
• 873-55-2 sodium benzenesulfonate 
• 100-47-0 benzonitrile 
• 6315-89-5 3,4-dimethoxyaniline 
• 98-88-4 benzoyl chloride 
• 4038-14-6 3,4-dimethoxybenzophenone 
• 91-16-7 1,2-dimethoxybenzene 
• 5653-40-7 2-Amino-4,5-dimethoxybenzoic acid 
• 20197-92-6 6,7-dimethoxy-1H-benzo[d][1,3]oxazine-2,4-dione 
• 255896-36-7 (4,5-dimethoxy-2-nitrophenyl)-(phenyl)methanone 
• 926888-02-0 2-amino-4,5,N-trimethoxy-N-methylbenzamide 
• 98-80-6 phenylboronic acid 

Downstream Products

• 309927-64-8 2-benzoyl-4,5-dimethoxy-1-(4-methylphenylsulfonamido)benzene 
• 1202391-19-2 N-(4,5-dimethoxy-2-benzoylphenyl)formamide 
• 1256456-14-0 2-{[1-(2-benzoyl-4,5-dimethoxyphenyl)-5-methyl-1H-pyrrol-2-yl]methyl}-1H-isoindole-1,3(2H)-dione 
• 1229610-00-7 6,7-dimethoxy-2,4-diphenylquinazoline 
• 58487-55-1 4-phenyl-6,7-dimethoxyquinazoline 
• 1072913-30-4 (2-amino-4,5-dimethoxyphenyl)(phenyl)methanol 
• 1192352-01-4 C₁₅H₁₇NO₂ 
• 477742-56-6 (2-amino-5-hydroxy-4-methoxyphenyl)(phenyl)methanone 
• 477742-49-7 (2-amino-3-bromo-4.5-dimethoxyphenyl)(phenyl)methanone 
• 137959-58-1 7,8-Dimethoxy-5-phenyl-3-(3-phenyl-propyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one 
• 477742-19-1 7,8-dimethoxy-1-methyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one 

Relevant articles and documents

Enantioselective Intramolecular Copper-Catalyzed Borylacylation

An enantioselective copper-catalyzed intramolecular borylacylation is reported. The reaction proceeds through an initial enantioselective borylcupration of the styrene, followed by a nucleophilic attack on the tethered carbamoyl chloride. The products, chiral borylated 3,3-disubstituted oxindoles, were generated in excellent yields and enantioselectivities. The versatile carbon–boron bond provides a platform for a wide array of diversification.

Palladium-catalyzed direct addition of arylboronic acids to 2-aminobenzonitrile derivatives: Synthesis, biological evaluation and in silico analysis of 2-aminobenzophenones, 7-benzoyl-2-oxoindolines, and 7-benzoylindoles

A palladium-catalyzed direct addition of arylboronic acids to unprotected 2-aminobenzonitriles has been developed, leading to a wide range of 2-aminobenzophenones with moderate to excellent yields. The transformation has broad scope and high functional group tolerance. Moreover, 2-oxoindoline-7-carbonitrile and indole-7-carbonitrile were applicable to this process for the construction of 7-benzoyl-2-oxoindolines and 7-benzoylindoles, respectively. Among the compounds examined, compound 4e possessed the most potent anticancer activity against H446 and HGC-27 in vitro, with IC50 values of 0.02 μmol L-1 and 0.09 μmol L-1, respectively, while compound 4a showed the best potent anticancer activity against SGC-7901 with an IC50 value of 0.01 μmol L-1. Furthermore, we also performed in silico molecular docking calculations to investigate the interaction mode and binding affinity between the examined compounds and their tubulin target. This journal is

Palladium-catalyzed direct addition of 2-Aminobenzonitriles to sodium arylsulfinates: Synthesis of o-Aminobenzophenones

The first example of the palladium-catalyzed synthesis of o-Aminobenzophenones in moderate to excellent yields via a direct addition of sodium arylsulfinates to unprotected 2-Aminobenzonitriles was reported. A plausible mechanism for the formation of o-Aminobenzophenones involving desulfination and addition reactions was proposed. The utility of this transformation was demonstrated by its compatibility with a wide range of functional groups. Thus, the method represents a convenient and practical strategy for synthesis of o-Aminobenzophenones.

Aryl ring migration reaction in the synthesis of 2,4-diaryl-4H-3,1- benzothiazines

A new rearrangement of 1-(diarylmethyl)-2-isothiocyanatobenzenes into 2,4-diaryl-4H-3,1-benzothiazine derivatives is described. Treatment of the starting compounds with aluminum trichloride under Friedel-Crafts conditions leads to migration of an aryl sub

Simple route to 3-(2-indolyl)-1-propanones via a furan recyclization reaction

A simple route to 1-R-3-(2-indolyl)-1-propanones has been elaborated based on recyclization of 2-(2-aminobenzyl)furan derivatives. Being a modification of the Reissert indole synthesis, our approach employs the furan ring as a source of carbonyl function. This approach is general and allows varying of substituents in aromatic ring as well as in 3-position of indole nucleus.

Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses

The invention concerns the use of PDE2 inhibitors for treating disorders of the central and peripheral nervous system, a method for therapeutic treatment by administering to an animal said inhibitors. More specifically, the invention concerns novel benzodiazepinone derivatives and their uses in therapeutics more particularly for treating pathologies involving activity of a cyclic nucleotide phosphodiesterase type 2. The invention also concerns methods for preparing same and novel synthesis intermediates.

1,4-Benzodiazepines as inhibitors of respiratory syncytial virus

Respiratory syncytial virus (RSV) is the cause of one-fifth of all lower respiratory tract infections worldwide and is increasingly being recognized as a serious threat to patient groups with poorly functioning immune systems. Our approach to finding a novel inhibitor of this virus was to screen a 20 000-member diverse library in a whole cell XTT assay. Parallel assays were carried out in the absence of virus in order to quantify any associated cell toxicity. This identified 100 compounds with IC50's less than 50 μM. A-33903 (18), a 1,4-benzodiazepine analogue, was chosen as the starting point for lead optimization. This molecule was moderately active and demonstrated good pharmacokinetic properties. The most potent compounds identified from this work were A-58568 (47), A-58569 (44), and A-62066 (46), where modifications to the aromatic substitution enhanced potency, and A-58175 (42), where the amide linker was modified.

Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof

The invention concerns novel benzodiazepine derivatives and their uses in the field of therapeutics particularly for treating pathologies involving the activity of a cyclic nucleotide phosphodiesterase. It also concerns methods for preparing them and novel synthesis intermediates. The inventive compounds more particularly correspond to general formula (I):

Novel benzo[1,4]diazepin-2-one derivatives as endothelin receptor antagonists

Since its discovery in 1988 by Yanagisawa et al., endothelin (ET), a potent vasoconstrictor, has been widely implicated in the pathophysiology of cardiovascular, cerebrovascular, and renal diseases. Many research groups have embarked on the discovery and development of ET receptor antagonists for the treatment of such diseases. While several compounds, e.g., ambrisentan 2, are in late clinical trials for various indications, one compound (bosentan, Tracleer) is being marketed to treat pulmonary arterial hypertension. Inspired by the structure of ambrisentan 2, we designed a novel class of ET receptor antagonists based on a 1,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-one scaffold. Here, we report on the preparation as well as the in vitro and in vivo structure-activity relationships of these derivatives. Potent dual ET A/ETB receptor antagonists with affinities in the low nanomolar range have been identified. In addition, several compounds efficiently reduced arterial blood pressure after oral administration to Dahl salt sensitive rats. In this animal model, the efficacy of the benzo[e] [1,4]diazepin-2-one derivative rac-39au was superior to that of racemic ambrisentan, rac-2.