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| CAS No.: | 66671-82-7 |
|---|---|
| Name: | 2,5-Diaminoanisole sulfate |
| Molecular Structure: | |
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| Formula: | C7H10N2O.H2SO4 |
| Molecular Weight: | 236.249 |
| Synonyms: | Sulfuricacid;NSC 248648; |
| EINECS: | 266-443-9 |
| Boiling Point: | 299.1 °C at 760 mmHg |
| Flash Point: | 159 °C |
| Appearance: | powder |
| PSA: | 144.25000 |
| LogP: | 2.45000 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 5307-02-8
2-methoxy-1,4-phenylenediamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 0.5h; | 95% |
- 56-81-5
glycerol
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 951-06-4
5-methoxy-[4,7]phenanthroline
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium 3-nitrobenzenesulfonate In water for 6h; Heating; | 79% |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 127-68-4
sodium 3-nitrobenzenesulfonate
| Conditions | Yield |
|---|---|
| With sulfuric acid In water; glycerol for 6h; Heating; | 60% |
- 98-09-9
benzenesulfonyl chloride
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 83202-21-5
methoxybenzoquinone bis(benzenesulfonimide)
| Conditions | Yield |
|---|---|
| With lead(IV) acetate; potassium hydroxide 2) acetic acid; Yield given. Multistep reaction; |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 217-82-3
4,7-phenanthrolino-5,6:5’,6'-pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 60 percent / H2SO4 / glycerol; H2O / 6 h / Heating 2: 86 percent / HNO3; H2SO4 / 10 h / 96 °C 3: 65 percent / methanol / 2 h / 30 °C View Scheme | |
| Multi-step reaction with 3 steps 1: 79 percent / sodium m-nitrobenzene sulfonate, sulfuric acid / H2O / 6 h / Heating 2: 66 percent / sulfuric acid, fuming nitric acid / 2 h / 120 °C 3: 41 percent / methanol / 2 h / Ambient temperature View Scheme |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 84-12-8
phanquinone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 60 percent / H2SO4 / glycerol; H2O / 6 h / Heating 2: 86 percent / HNO3; H2SO4 / 10 h / 96 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 79 percent / sodium m-nitrobenzene sulfonate, sulfuric acid / H2O / 6 h / Heating 2: 66 percent / sulfuric acid, fuming nitric acid / 2 h / 120 °C View Scheme |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid 2: 240 h / Ambient temperature 3: 1) O3, Me2S, 2) HCl View Scheme |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 89005-16-3
3,6-Bis-benzenesulfonyl-5-methoxy-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid 2: 240 h / Ambient temperature 3: 1) O3, Me2S, 2) HCl View Scheme |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
- 89005-14-1
3,6-Bis-benzenesulfonyl-5-methoxy-8-methyl-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid 2: 75 percent / 96 h / Ambient temperature 3: 1) O3, Me2S, 2) HCl / 1) -78 deg C, 2) dioxane View Scheme |
- 66671-82-7
2-methoxy-1,4-phenylenediamine sulfate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid 2: 75 percent / 96 h / Ambient temperature 3: 1) O3, Me2S, 2) HCl / 1) -78 deg C, 2) dioxane 4: NaOH View Scheme |
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Consensus Reports
Specification
The systematic name of 2-Methoxy-1,4-benzenediamine sulfate is 2-methoxybenzene-1,4-diamine sulfate (1:1). With the CAS registry number 66671-82-7, it is also named as 1,4-Benzenediamine, 2-methoxy-, sulfate. The classification code is Mutation data and the other registry number is 42909-29-5. When heated to decomposition it emits toxic vapors of NOx and SOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.15; (8)ACD/KOC (pH 7.4): 11.63; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71 Å2; (13)Flash Point: 159 °C; (14)Enthalpy of Vaporization: 53.91 kJ/mol; (15)Boiling Point: 299.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00122 mmHg at 25°C.
Uses of 2-Methoxy-1,4-benzenediamine sulfate: It is used as intermediate of dyes and organic pigments. It also can used to produce anti-amoebic dysentery and bacillary dysentery drugs. In addition, it can react with propane-1,2,3-triol to get 5-methoxy-[4,7]phenanthroline. This reaction needs reagent sodium m-nitrobenzene sulfonate, sulfuric acid and solvent H2O by heating. The reaction time is 6 hours. The yield is 79%.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)O.O(c1cc(ccc1N)N)C
2. InChI:InChI=1/C7H10N2O.H2O4S/c1-10-7-4-5(8)2-3-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
3. InChIKey:HAGUXKMTUITVQW-UHFFFAOYAE
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 28mg/kg (28mg/kg) | Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977. | |
| rat | LD50 | oral | 70mg/kg (70mg/kg) | Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977. |