4-amino-benzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; dihydrogen peroxide; acetic acid In water at 60℃; for 4h; Solvent; | 60% |
With sulfuryl dichloride In acetic acid at 60℃; for 1.41667h; | 45% |
With sulfuryl dichloride; acetic acid | |
With sulfuryl dichloride; chloroform | |
With hydrogenchloride; potassium chlorate; sodium acetate; acetic acid |
N-(3.5-dichloro-4-amino-benzoyl)-L-glutamic acid
A
4-amino-3,5-dichlorobenzoic acid
B
Pyroglutamic acid
Conditions | Yield |
---|---|
at 240℃; |
3,5-dichloro-4-acetamidobenzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
4-amino-benzoic acid
A
4-amino-3,5-dichlorobenzoic acid
B
2,4,6-trichloroaniline
Conditions | Yield |
---|---|
With chlorine; acetic acid |
4-nitro-benzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With aluminium trichloride; sodium chloride; tin(ll) chloride |
p-(acetylamino)benzoic acid
A
4-amino-3,5-dichlorobenzoic acid
B
4-amino-3-chlorobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; chlorine; acetic acid 1.) RT, overnight, 2) reflux, 30 min; Multistep reaction. Title compound not separated from byproducts; | A n/a B 85 % Spectr. |
With hydrogenchloride; chlorine; acetic acid 1.) RT, overnight, 2.) reflux, 30 min; Yield given. Multistep reaction; |
p-aminoethylbenzoate
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
(i) aq. H2O2, aq. HCl, (ii) aq. NaOH; Multistep reaction; |
chlorine
4-amino-benzoic acid
acetic acid
A
4-amino-3,5-dichlorobenzoic acid
B
2,4,6-trichloroaniline
Conditions | Yield |
---|---|
at 20℃; |
hydrogenchloride
4-amino-benzoic acid
A
4-amino-3,5-dichlorobenzoic acid
B
2,4,6-trichloroaniline
p-(acetylamino)benzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: acetic acid; chlorine 2: aqueous NaOH View Scheme |
4-amino-benzoic acid
4-methoxycarbonyl aniline
4-amino-3,5-dichlorobenzoic acid
2,6-dichloro-1-nitrobenzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With sodium azide; sulfuric acid In chloroform at 45℃; for 5h; Temperature; Cooling with ice; |
3,5-dichlorobenzoic acid
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 5 h / 100 °C / Cooling with ice 2: sulfuric acid; sodium azide / chloroform / 5 h / 45 °C / Cooling with ice View Scheme |
ethanol
4-amino-3,5-dichlorobenzoic acid
4-amino-3,5-dichlorobenzoic acid ethyl ester
Conditions | Yield |
---|---|
With thionyl chloride at 60℃; for 18h; | 100% |
With thionyl chloride at 60℃; for 18h; | 100% |
methanol
4-amino-3,5-dichlorobenzoic acid
methyl 4-amino-3,5-dichlorobenzoate
Conditions | Yield |
---|---|
Stage #1: methanol With thionyl chloride at -4 - 0℃; for 1.58333h; Stage #2: 4-amino-3,5-dichlorobenzoic acid at 15 - 30℃; for 72h; | 100% |
With thionyl chloride at 0 - 20℃; for 16h; | 9.4 g |
4-amino-3,5-dichlorobenzoic acid
adamantan-2-amine hydrochloride
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In ethyl acetate at 20℃; for 22h; | 100% |
4-amino-3,5-dichlorobenzoic acid
benzyl bromide
Conditions | Yield |
---|---|
Stage #1: 4-amino-3,5-dichlorobenzoic acid; benzyl bromide With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; for 16.166h; Stage #2: With hydrogenchloride In tetrahydrofuran; water; N,N-dimethyl-formamide at 0℃; | 88% |
4-amino-3,5-dichlorobenzoic acid
2,6-Dichloroaniline
Conditions | Yield |
---|---|
With copper(I) oxide In quinoline at 220℃; for 6h; Autoclave; | 85% |
In water | 80% |
4-amino-3,5-dichlorobenzoic acid
amantadine hydrochloride
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In ethyl acetate at 20℃; for 22h; | 84% |
4-amino-3,5-dichlorobenzoic acid
phenol
Conditions | Yield |
---|---|
Stage #1: 4-amino-3,5-dichlorobenzoic acid With sulfuric acid; sodium nitrite In water; acetic acid at 5℃; for 0.5h; Stage #2: phenol With sodium hydroxide In water at 5℃; Stage #3: With hydrogenchloride In water | 82% |
4-Azatricyclo[4.3.1.1(3,8)]undecane
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
1-adamantane-methylamine
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
N-cyclopropylcyclohexylamine
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
3-benzyl-3,6-diazabicyclo[3.2.1]octane
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
4-amino-3,5-dichlorobenzoic acid
4-[(4-amino-3,5-dichloro-benzoyl)-cyclopropyl-amino]-cyclohexanecarboxylic acid ethyl ester
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
4-amino-3,5-dichlorobenzoic acid
1-(phenylmethyl)octahydro-1,5-diazocine
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 70% |
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
70% |
4-amino-3,5-dichlorobenzoic acid
3,5-dichloro-4-aminobenzoylchloride
Conditions | Yield |
---|---|
With phosphorus pentachloride In chlorobenzene at 90℃; Substitution; chlorination; | 68.8% |
With phosphorus pentachloride; chlorobenzene |
4-amino-3,5-dichlorobenzoic acid
2-amino-benzenethiol
Conditions | Yield |
---|---|
With PPA at 220℃; for 4h; | 64% |
4-amino-3,5-dichlorobenzoic acid
2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 1.5h; Inert atmosphere; | 61.4% |
4-amino-3,5-dichlorobenzoic acid
3-amino-9-methyl-1-phenyl-6,7-dihydro-3H-[1,4]diazepino[6,7,1-hi]indol-4-one
Conditions | Yield |
---|---|
With O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; | 56.3% |
With O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane Condensation; |
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide at 50℃; | 47% |
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1,2-dichloro-ethane; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 20℃; | 47% |
4-amino-3,5-dichlorobenzoic acid
(R)-3,9-diamino-1-phenyl-6,7-dihydro-3H-[1,4]diazepino[6,7,1-hi]indol-4-one
(3R)-4-amino-N-(9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino [6,7,1-hi]indol-3-yl)-3,5-dichlorobenzamide
Conditions | Yield |
---|---|
With O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; | 43% |
2-methyl-4-oxopiperidine
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 40% |
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 100℃; for 12h; | 40% |
diazomethane
4-amino-3,5-dichlorobenzoic acid
methyl 4-amino-3,5-dichlorobenzoate
Conditions | Yield |
---|---|
With acetone |
4-amino-3,5-dichlorobenzoic acid
3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With potassium disulphite; nitric acid Diazotization.Erwaermen der Diazoloesung mit Alkohol und Kupfersulfat; | |
With hydrogenchloride; copper(l) chloride; sodium nitrite 1) DMF 2) a) 30 min, 0-5 deg C b) 1h, r.t. c) 70 deg C; Yield given. Multistep reaction; |
4-amino-3,5-dichlorobenzoic acid
A
3,5-dichlorobenzoic acid
B
3,5-dichloro-1-nitrobenzene
Conditions | Yield |
---|---|
With potassium disulphite; nitric acid Diazotization.Erwaermen der mit Eiswasser verduennten Diazoniumsalz-Loesung mit Alkohol in Gegenwart von Kupfersulfat; |
4-amino-3,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With nitric acid at 0℃; |
The CAS registry number of Benzoic acid,4-amino-3,5-dichloro- is 56961-25-2. Its EINECS registry number is 260-468-9. The IUPAC name is 4-amino-3,5-dichlorobenzoic acid. In addition, the molecular formula is C7H5Cl2NO2 and the molecular weight is 206.03. It is also called 3,5-dichloro-4-aminobenzoicacid. What's more, it is a kind of cream powder and belongs to the classes of Aminoacid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives.
Physical properties about this chemical are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 91.76; (8)ACD/KOC (pH 7.4): 2.74; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 47.2 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 18.71 ×10-24cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.607 g/cm3; (19)Flash Point: 162 °C; (20)Enthalpy of Vaporization: 62.07 kJ/mol; (21)Boiling Point: 344.2 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-05 mmHg at 25°C.
Preparation of Benzoic acid,4-amino-3,5-dichloro-: it can be prepared by 4-amino-benzoic acid. This reaction will need reagent SO2Cl2 and solvent acetic acid. The reaction time is 85 minutes at reaction temperature of 60 °C. The yield is about 45%.
Uses of Benzoic acid,4-amino-3,5-dichloro-: it can be used to get 4-amino-3,5-dichloro-benzoyl chloride. This reaction will need reagent PCl5 and solvent chlorobenzene. The yield is about 68.8% at reaction temperature of 90 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)O
(2)InChI: InChI=1/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
(3)InChIKey: UHXYYTSWBYTDPD-UHFFFAOYAX
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 4618mg/kg (4618mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984. |
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