31951-12-9

Basic information

• Product Name: 3-nitro-4-tert-butylaniline
• Synonyms: 3-nitro-4-tert-butylaniline;BenzenaMine, 4-(1,1-diMethylethyl)-3-nitro-;4-(TERT-BUTYL)-3-NITROANILINE
• CAS NO: 31951-12-9
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.23036
• Mol File: 31951-12-9.mol

Chemical Properties

• Melting Point: 58-59 °C
• Boiling Point: 336°Cat760mmHg
• Flash Point: 157°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.564
• PKA: 3.02±0.10(Predicted)
• CAS DataBase Reference: 3-nitro-4-tert-butylaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 3-nitro-4-tert-butylaniline(31951-12-9)
• EPA Substance Registry System: 3-nitro-4-tert-butylaniline(31951-12-9)

Safety Data

• Hazardous Substances Data: 31951-12-9(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
3-nitro-4-tert-butylaniline is used as an intermediate in the synthesis of various organic chemicals for its ability to undergo a range of chemical reactions, facilitating the creation of diverse chemical products.
Used in Dye Production:
3-nitro-4-tert-butylaniline is used as a precursor in the production of dyes, where its chemical structure contributes to the color properties of the final dye products.
Used in Pharmaceutical Industry:
3-nitro-4-tert-butylaniline is used as a building block in the synthesis of pharmaceuticals, playing a crucial role in the development of new drugs due to its reactivity and structural features.
Used in Agrochemicals:
3-nitro-4-tert-butylaniline is utilized in the development of agrochemicals, such as pesticides and herbicides, where its chemical properties are harnessed to enhance the effectiveness of these products.

InChI:InChI=1/C10H14N2O2/c1-10(2,3)8-5-4-7(11)6-9(8)12(13)14/h4-6H,11H2,1-3H3

Upstream product

• 769-92-6 4-tert-Butylaniline 
• 4160-54-7 1-tert-butyl-2,4-dinitrobenzene 
• 103853-71-0 4-tert-butyl-3-nitro-benzoic acid amide 
• 253185-03-4 tert-butylbenzene 
• 3282-56-2 4-tert-butylnitrobenzene 
• 59719-78-7 4-tert-butyl-3-nitrobenzoic acid 

Downstream Products

• 1886-57-3 1-tert-butyl-2-nitrobenzene 
• 31951-11-8 4-acetamido-2-nitro-t-butylbenzene 
• 70634-30-9 4-tert-Butyl-3-nitrophenol 
• 70634-25-2 4-(1,1-Dimethylethyl)-3-nitro-benzonitrile 
• 478701-44-9 2-tert-butyl-5-methoxy-phenylamine 
• 70634-26-3 1-tert-butyl-4-methoxy-2-nitro-benzene 
• 166263-20-3 3-amino-4-(1,1-dimethylethyl)benzonitrile 
• 166263-23-6 N'-<5-cyano-2-(1,1-dimethylethyl)phenyl>carbamic acid phenyl ester 
• 166263-22-5 N-cyano-N'-<5-cyano-2-(1,1-dimethylethyl)phenyl>carbamimidic acid phenyl ester 
• 2025-23-2 2,3-dinitro-4-t-butylaniline 
• 62171-59-9 1-(tert-butyl)-2-iodobenzene 

Relevant articles and documents

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE

The present invention provides classes of compounds, including-their pharmaceutically acceptable derivatives, useful for treating angiogenesis and related diseases such as cancer. Formula I and II wherein R is a 9- or 10-membered heterocyclyl ring selected from 7-isoquinolinyl,..2-methyl-3-oxo-2,3-dihydroindazol-6-yl, [1,6]-naphthydrin-3-yl, [1,7]-naphthydrin-2-yl, 1-oxo-2,3-dihydrobenzofuran-4-yl, 3-oxo-2,3-dihydrobenzofuran-5-yl, dihydro-benzodioxinyl, 6-quinazolinyl, 2-amino-6-quinazolinyl, 4-methylamino-6-quinazolinyl, 2,4-diamino-6 quinazolinyl, 3-oxo-3,4-dihydro-1,4-benzoxazin-6-yl, 2,2-difluoro-l;3-benzodioxol-5-yl and 2,2,3,3 tetrafluoro-2,3-dihydro-l,4-benzodioxin-6-yl, each of which is optionally substituted with one or more substituents selected from halo, haloakyl, C1-6 alkyl, C2-8 alkenyl, C2-8 alkynyl, N-dimethylamino-C1-6-alkyl, N-dimethylamino-C1-6-alkoxy, amino, alkyl-carbonylamino, morpholino-sulfonyl, amino-sulfonyl, oxazolyl, pyrrolyl,4 morpholinyl, carboxyl, cyano, and acetyl; wherein R1 in formula I is selected from unsubstituted or substituted phenyl, 5-6 membered heteroaryl, 9-10 membered bicyclic heterocyclyl and 11-14 membered tricyclic heterocyclyl, and R1 in formula II is selected from specific bicyclic heterocycles.

SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE

Selected compounds are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

Substituted alkylamine derivatives and methods of use

Selected amines are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

C-C bond formation via C-H bond activation: Catalytic arylation and alkenylation of alkane segments

A new system for catalytic arylation and alkenylation of alkane segments has been developed. The ortho-tert-butylaniline substrates and 2-pivaloylpyridine may be arylated and alkenylated at the tert-butyl group, while no functionalization occurred at more reactive C-H and other bonds. Arylation and alkenylation of these substrates are achieved in the presence of Ph2Si(OH)Me and Ph-CH=CH-Si(OH)Me2, respectively, and the catalytic amount of Pd(OAc)2 and stoichiometric oxidant (Cu(OAc)2, 2 equiv) in DMF. In contrast, the ortho-i-propylaniline substrate underwent cyclopalladation, but no arylation product was obtained. Complex compound 14 was synthesized via tandem arylation-alkenylation of tert-butylaniline 11. We hypothesize that the high selectivity of this system stems from the confluence of directing effect of the Schiff base or pyridine moiety and unique reactivity properties of a phenyl-palladium acetate species (Ph-Pd-OAc·Ln). Copyright

C-C bond formation via C-H bond activation: Synthesis of the core of teleocidin B4

The core of teleocidin B4, a complex fragment of a natural product containing two quaternary stereocenters and a penta-substituted benzene ring, was synthesized in four C-C bond-forming steps starting from tert-butyl derivative 1. The first step involved

Cardioselective antiischemic ATP-sensitive potassium channel openers. 4. Structure-activity studies on benzopyranylcyanoguanidines: Replacement of the benzopyran portion

The results of our efforts aimed at the replacement of the benzopyran ring of the lead cardiac selective antiischemic ATP-sensitive potassium channel (K(ATP)) opener (4) are described. Systematic modification of the benzopyran ring of 4 resulted in the discovery of a structurally simpler acyclic analog (8) with slightly lower antiischemic potency than the lead compound 4. Further structure-activity studies on the acyclic analog 8 provided the 2- phenoxy-3-pyridylurea analog 18 with improved antiischemic potency and selectivity compared to the benzopyran-based compound 4. These data demonstrate that the benzopyran ring of 4 and its congeners is not mandatory for antiischemic activity and cardiac selectivity. The results described in this paper also show that, as for the benzopyran class of compounds, the structure-activity relationships for the antiischemic and vasorelaxant activities of K(ATP) openers are distinct. The mechanism of action of the acyclic analogs (e.g., 18) still appears to involve K(ATP) opening as their cardioprotective effects are abolished by pretreatment with the K(ATP) blocker glyburide.

Aryl urea and related compounds

Compounds having the formula STR1 and pharmaceutically acceptable salts thereof wherein X is a single bond, O, CO, S, NH or N(lower alkyl); Y is O, S or NCN; and R 1 to R 5'' are as defined herein. These compounds have potassium channel activating activit