28096-56-2

Basic information

• Product Name: 4-DIMETHYLAMINO-3-NITRO-BENZOIC ACID
• Synonyms: 4-(Dimethylamino)-3-nitrobenzoicacid
• CAS NO: 28096-56-2
• Molecular Formula: C₉H₁₀N₂O₄
• Molecular Weight: 210.19
• Mol File: 28096-56-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 213-214 °C
• Boiling Point: 383.5°Cat760mmHg
• Flash Point: 185.8°C
• Appearance: /
• Density: 1.384g/cm³
• Vapor Pressure: 1.44E-06mmHg at 25°C
• Refractive Index: 1.63
• PKA: 4.28±0.10(Predicted)
• CAS DataBase Reference: 4-DIMETHYLAMINO-3-NITRO-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-DIMETHYLAMINO-3-NITRO-BENZOIC ACID(28096-56-2)
• EPA Substance Registry System: 4-DIMETHYLAMINO-3-NITRO-BENZOIC ACID(28096-56-2)

Safety Data

• Hazardous Substances Data: 28096-56-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H10N2O4/c1-10(2)7-4-3-6(9(12)13)5-8(7)11(14)15/h3-5H,1-2H3,(H,12,13)

Upstream product

• 619-84-1 p-N,N-dimethylaminobenzoic acid 
• 7697-37-2 nitric acid 
• 7647-01-0 hydrogenchloride 
• 102871-89-6 4-(dimethyl-oxy-amino)-benzoic acid 
• 7782-77-6 cis-nitrous acid 
• 622-93-5 3-diethylamino-propan-1-ol 
• 68-12-2 N,N-dimethyl-formamide 
• 96-99-1 4-chloro-3-nitrobenzoate 
• 3179-63-3 3-Dimethylamino-1-propanol 
• 610-39-9 3,4-Dinitrotoluene 
• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 124-40-3 dimethyl amine 
• 528-45-0 3,4-dinitrobenzoic acid 
• 59935-39-6 4-dimethylamino-3-nitrobenzaldehyde 

Downstream Products

• 40700-40-1 4-dimethylamino-3-nitro-benzoic acid ethyl ester 
• 2044-88-4 N-methyl-2,4-dinitroaniline 
• 2493-31-4 N,N-dimethyl-2,4,6-trinitro-aniline 
• 41263-74-5 4-(methylamino)-3-nitrobenzoic acid 
• 78196-46-0 3-amino-4-dimethylaminobenzoic acid 
• 479-45-8 tetryl 
• 71254-71-2 ethyl 4-(methylamino)-3-nitrobenzoate 
• 82080-46-4 4-(methoxycarbonyl)-2-nitro-N,N-dimethylaniline 

Relevant articles and documents

Synthesis of potentially bioactive PABA-related N-(aminoalkyl)lactamic amino acids and esters via selective SNAr reactions

Potentially bioactive N-(aminoalkyl)lactamic amino acids and esters were synthesized in satisfactory to good yields by SNAr reactions of aromatic acids with N-(3-aminopropyl)lactams followed by esterification with tertiary amino alcohols. The addition-elimination SNAr mechanism was confirmed by NMR and MS measurements. Graphical Abstract: [Figure not available: see fulltext.]

Benzene derivatives and pharmaceutical composition

A benzene derivative of the formula (I): STR1 wherein R 1 is hydrogen, C 1-6 -alkyl, C 1-6 -haloalkyl, --NH 2, --NHR 21 ; R 2 is hydroxyl, --OR 22, three- to seven-membered saturated cycloaliphatic amino optionally interrupted by one or more nitrogen, oxygen or sulfur atoms, --NHR 23, --N(R 24) 2, --NH 2 ; R 4 is hydrogen, C 1-6 -alkyl, or --C( O)R 25 ; R 7 is --CO--, --SO 2 --; R 8 is --CO--, single bond; R 12 is --R 11 --R 5 ; R 11 is --N(R 5)--, --NH--, --O--, --N(R 26)--, --N(C( O)R 27)--, --N(C( O)NH 2)--, --N(C( O)NHR 28)--; R 13 is hydrogen, C 1-6 -alkyl, C 1-6 -haloalkyl, --NHC( O)(CH 2) m C 6 H 5, --NHC( O)R 29, --NHC( O)CH(C 6 H 5) 2, --NH 2, --NHR 30, --(CH 2) n C 6 H 5 ; Z is C, CH, N; A is CH, N; R 5 is hydrogen, --CH 2 C 6 H 4 COOH, --CH 2 C 6 H 4 COOR 31, --CH 2 C 6 H 4 OH, --CH 2 C 6 H 4 OR 32, --CH 2 C 6 H 4 NH 2, --CH 2 C 6 H 4 N(R 33) 2, --CH 2 C 6 H 4 -azole, --CH 2 C 6 H 4 NHR 34, --CH 2 C 6 H 4 C 6 H 4 R 14 ; R 14 is azole, --COOH; R 21 to R 34 are independently C 1-6 -alkyl or C 1-6 -haloalkyl; m is 0 to 6; n is 0 to 6; t is 0 or 1, with the proviso that when Z is N, R 5 is hydrogen, --CH 2 C 6 H 4 COOH, --CH 2 C 6 H 4 COOR 31, --CH 2 C 6 H 4 OH, --CH 2 C 6 H 4 OR 32, --CH 2 C 6 H 4 NH 2, --CH 2 C 6 H 4 N(R 33) 2, --CH 2 C 6 H 4 -azole, or --CH 2 C 6 H 4 NHR 34, or a salt thereof, and a pharmaceutical composition comprising said benzene derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier are disclosed.