4-Amino-3-cyanobenzoic acid
-
4-Amino-3-cyanobenzoic acid
structure -
-
CAS No:
74192-47-5
-
Formula:
C8H6N2O2
-
Chemical Name:
4-Amino-3-cyanobenzoic acid
-
Synonyms:
Benzoic acid,4-amino-3-cyano-;4-Amino-3-cyanobenzoic acid
- Categories:
-
CAS No:
4-Amino-3-cyanobenzoic acid Use and Manufacturing
4-Amino-3-cyano-benzoic acid methyl ester (3.2 g, 10 mmol) in tetrahydrofurane/ water (110 ml, 1:1) was added lithium hydroxide hydrate (2.3 g, 30 mmol), the reaction mixture was stirred at room temperature for 20 hours and added hydro chloric acid (1 M) to pH = 3. From the mixture was tetrahydrofurane distilled of and the title compound precipitated out of solution.4-Amino-3-cyano-benzoic acid (0.97 g, 6 mmol), benzotriazol-l-yloxytris-(pyrrolidino)-phosphonium hexafluorophosphate (3.3 g, 6.3 mmol) and diisopropylethylamine (6 ml, 12 mmol) in anhydrous dimethyl formamide (25 ml) was added dimethylamine (6 ml of a 2 M in tetrahydrofuran), the reaction mixture was stirred at room temperature overnight. Some of the dimethyl formamide was evaporated off, the crude product was dissolved in ethyl acetate (25 ml), washed with potassium hydrogen sulphate (twice with 0.5 M (25 ml)), sodium hydroxide (twice with 1 M (25 ml)), water (10 ml) and brine (25 ml). The organic layer was dried and evaporated, the title compound was isolated by column chromatography. Yield 0.39 g.
Computed Properties
Molecular Weight:162.15
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:87.1
Heavy Atom Count:12
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Amino-3-cyanobenzoic acid
-
![China]()
CN
3 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.: 74192-47-5Grade: Industrial GradeContent: 95%
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8