3-Amino-4-nitrobenzonitrile
-
3-Amino-4-nitrobenzonitrile
structure -
-
CAS No:
99512-10-4
-
Formula:
C7H5N3O2
-
Chemical Name:
3-Amino-4-nitrobenzonitrile
-
Synonyms:
Benzonitrile,3-amino-4-nitro-;3-Amino-4-nitrobenzonitrile
- Categories:
-
CAS No:
3-Amino-4-nitrobenzonitrile Use and Manufacturing
A solution of 5-chloro-2-nitro-aniline (6.902g, 40 mmol), Zn(CN)2 (2.818g, 24 mmol), and Pd(PPh3)4 (2.31 lg, 2 mmol) in DMF (40 mL) was heated to 120oC for 4 days. Cooled to room temperature. Partitioned between ethyl acetate and water. The organic layer was washed with brine, dried (MgSO4), filtered, and concentrated under vacuum. The residue was purified by flash column chromatography on silica gel with 4:1 hexanes/ethyl acetate to provide 1.49g (23percent) of 3-amino-4-nitro-benzonitrile.Step 1: 3-Amino-4-nitrobenzonitrile (274) [0431] A suspension of bromoarene 2 (801mg; 3.7 MMOL) and zinc cyanide (570mg; 4. 85MMOL ; 1. 3eq. ) in degassed DIMETHYLFORMAMIDE (15 mL) was stirred at room temperature under nitrogen in the dark for 45 min and then treated with tetrakis (TRIPHENYLPHOSPHINE) PALLADIUM (O) (310mg, 1. 6MMOL). The mixture was stirred at 90°C for 18h; filtered through a celite pad, concentrated under reduced pressure and purified by flash chromatography on silica gel, eluent EtOAc-hexane (1 : 1) to afford the title compound 274 (380 mg, 63percent YIELD). H NMR: (400.2 MHz, CDCI3) 8 (ppm): 8.22 (d, J=8.6 Hz; 1H); 7.19 (d, J=1.8 Hz; 1H) ; 6.95 (dd, J=1.8, 8.6 Hz; 1H) ; 6.27 (bs; 2H). MS: CALC : 163.1 ; found: 164.1 (M+H)
Computed Properties
Molecular Weight:163.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:163.038176411
Monoisotopic Mass:163.038176411
Topological Polar Surface Area:95.6
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Amino-4-nitrobenzonitrile
-
![China]()
CN
2 YRS
Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 99512-10-4Grade: Industrial GradeContent: 95%
Learn More Other Chemicals
-
2-Bromophenacyl bromide, 90%
49851-55-0
-
1H-Indazol-7-ol
81382-46-9
-
6-Chloro-4-forMyl-nicotinic acid
1031433-06-3
-
3-Hydroxy-2,4,5-trifluorobenzoic acid Formula
116751-24-7
-
2-Methyl-1-heptene Formula
15870-10-7
-
1-(3,5-Dinitrophenyl)ethanone Formula
14401-75-3
-
α-Amino-3-bromobenzeneacetic acid Structure
79422-73-4
-
6-(BROMOMETHYL)-1,3-BENZOTHIAZOLE,97% Structure
499770-85-3
-
What is Allyl methacrylate
96-05-9
-
What is ethyl 5-hydroxy-2-Methylnicotinate
60390-47-8