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CAS No.: | 785-30-8 |
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Name: | 4,4'-Diaminobenzanilide |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C13H13N3O |
Molecular Weight: | 227.266 |
Synonyms: | Benzanilide,4,4'-diamino- (6CI,7CI,8CI);4-Amino-N-(4-aminophenyl)benzamide;4-Aminobenzoyl-4'-aminoanilide;N-(4-Aminophenyl)-4-aminobenzamide;NSC 37092; |
EINECS: | 212-321-5 |
Density: | 1.314 g/cm3 |
Melting Point: | 205-207 °C(lit.) |
Boiling Point: | 384 °C at 760 mmHg |
Flash Point: | 186 °C |
Solubility: | Practically insoluble in water |
Appearance: | off-white to grey-beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 81.14000 |
LogP: | 3.33870 |
4,4'-diaminobenzanilide
Conditions | Yield |
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With hydrazine hydrate In ethanol at 20℃; chemoselective reaction; | 98% |
Conditions | Yield |
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Stage #1: 4,4'-dinitrobenzanilide With palladium on activated charcoal; hydrogen In N,N-dimethyl-formamide at 10℃; under 6000.6 Torr; Autoclave; Stage #2: In butan-1-ol at 25 - 135℃; for 0.333333h; Autoclave; | 96.1% |
With hydrogenchloride; iron In water at 95 - 98℃; for 2h; | 75% |
With iron; acetic acid In ethanol; water for 15h; Reflux; | 27% |
Conditions | Yield |
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With sodium hydroxide |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: PCl5 / Ambient temperature 2: 10percent aq. NaOH View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: triethylamine / chlorobenzene / 4.5 h / 90 - 95 °C 2: hydrogenchloride; iron / water / 2 h / 95 - 98 °C View Scheme | |
Multi-step reaction with 2 steps 1: triethylamine / 1,4-dioxane / 1 h / 60 °C 2: iron; acetic acid / water; ethanol / 15 h / Reflux View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: triethylamine / chlorobenzene / 4.5 h / 90 - 95 °C 2: hydrogenchloride; iron / water / 2 h / 95 - 98 °C View Scheme | |
Multi-step reaction with 2 steps 1: triethylamine / 1,4-dioxane / 1 h / 60 °C 2: iron; acetic acid / water; ethanol / 15 h / Reflux View Scheme |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: thionyl chloride; N,N-dimethyl-formamide / 65 - 70 °C 2: triethylamine / chlorobenzene / 4.5 h / 90 - 95 °C 3: hydrogenchloride; iron / water / 2 h / 95 - 98 °C View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 12 h / 20 °C 2: palladium on activated charcoal; hydrogen / ethyl acetate / 16 h / 20 °C View Scheme |
4,4'-diaminobenzanilide
Ethoxycarbonyl isothiocyanate
ethyl N-((4-((4-((((ethoxycarbonyl)amino)methanethioyl)amino)phenyl)carbamoyl)phenyl)carbamothioyl)carbamate
Conditions | Yield |
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In dichloromethane at 0 - 20℃; Inert atmosphere; | 96% |
4,4'-diaminobenzanilide
N-tert-butoxycarbonyl-proline
Conditions | Yield |
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With BC 347 In dichloromethane at 20℃; for 17h; | 93% |
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The IUPAC name of Benzamide,4-amino-N-(4-aminophenyl)- is 4-amino-N-(4-aminophenyl)benzamide . With the CAS registry number 785-30-8, it is also named as 4,4'-Diaminobenzanilide ; 4-Aminobenzoyl-4'-aminoanilide ; CCRIS 8916 ; NSC 37092 ; p,p'-Diaminobenzanilide ; 4,4'-Diaminobenzanilide ; Benzanilide, 4,4'-diamino- (8CI) . The product's categories are intermediates of dyes and pigments, anilines, aromatic amines and nitro compounds, amine monomers, monomers and primary amines.
The Benzamide,4-amino-N-(4-aminophenyl)- is off-white to grey-beige powder which is used to produce direct, blended dyes and plastics stabilizer. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.18 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 0.11 ; (4)ACD/LogD (pH 7.4): 0.18 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 25.35 ; (8)ACD/KOC (pH 7.4): 29.78 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 5 ; (11)#Freely Rotating Bonds: 4 ; (12)Index of Refraction: 1.734 ; (13)Molar Refractivity: 69.3 cm3 ; (14)Molar Volume: 172.8 cm3 ; (15)Polarizability: 27.47×10-24 cm3 ; (16)Surface Tension: 69.1 dyne/cm ; (17)Enthalpy of Vaporization: 63.26 kJ/mol ; (18)Vapour Pressure: 4.22E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 2 ; (20)Tautomer Count: 5 ; (21)Exact Mass: 227.105862 ; (22)MonoIsotopic Mass: 227.105862 ; (23)Topological Polar Surface Area: 81.1 ; (24)Heavy Atom Count: 17.
People can use the following data to convert to the molecule structure. SMILES: O=C(Nc1ccc(cc1)N)c2ccc(N)cc2; InChI: InChI=1/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17). Benzamide,4-amino-N-(4-aminophenyl)- has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd.. The price of this product changes with the market.