Product Name

  • Name

    2,5-Diaminoanisole sulfate

  • EINECS 266-443-9
  • CAS No. 66671-82-7
  • Density
  • Solubility
  • Melting Point
  • Formula C7H10N2O.H2SO4
  • Boiling Point 299.1 °C at 760 mmHg
  • Molecular Weight 236.249
  • Flash Point 159 °C
  • Transport Information
  • Appearance powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 66671-82-7 (2,5-Diaminoanisole sulfate)
  • Hazard Symbols
  • Synonyms Sulfuricacid;NSC 248648;
  • PSA 144.25000
  • LogP 2.45000

Synthetic route

2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

2-methoxy-1,4-phenylenediamine
5307-02-8

2-methoxy-1,4-phenylenediamine

Conditions
ConditionsYield
With sodium hydroxide for 0.5h;95%
glycerol
56-81-5

glycerol

2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

5-methoxy-[4,7]phenanthroline
951-06-4

5-methoxy-[4,7]phenanthroline

Conditions
ConditionsYield
With sulfuric acid; sodium 3-nitrobenzenesulfonate In water for 6h; Heating;79%
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

sodium 3-nitrobenzenesulfonate
127-68-4

sodium 3-nitrobenzenesulfonate

5-methoxy-4,7-phenanthroline hydrogen sulfate

5-methoxy-4,7-phenanthroline hydrogen sulfate

Conditions
ConditionsYield
With sulfuric acid In water; glycerol for 6h; Heating;60%
benzenesulfonyl chloride
98-09-9

benzenesulfonyl chloride

2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

methoxybenzoquinone bis(benzenesulfonimide)
83202-21-5

methoxybenzoquinone bis(benzenesulfonimide)

Conditions
ConditionsYield
With lead(IV) acetate; potassium hydroxide 2) acetic acid; Yield given. Multistep reaction;
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

4,7-phenanthrolino-5,6:5’,6'-pyrazine
217-82-3

4,7-phenanthrolino-5,6:5’,6'-pyrazine

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

phanquinone
84-12-8

phanquinone

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

3,6-Bis-benzenesulfonyl-5-methoxy-1,2,3,6-tetrahydro-pyrrolo[3,2-e]indole

3,6-Bis-benzenesulfonyl-5-methoxy-1,2,3,6-tetrahydro-pyrrolo[3,2-e]indole

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

3,6-Bis-benzenesulfonyl-5-methoxy-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one
89005-16-3

3,6-Bis-benzenesulfonyl-5-methoxy-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

3,6-Bis-benzenesulfonyl-5-methoxy-8-methyl-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one
89005-14-1

3,6-Bis-benzenesulfonyl-5-methoxy-8-methyl-3,6-dihydro-1H-pyrrolo[3,2-e]indol-2-one

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

(1-Benzenesulfonyl-5-benzenesulfonylamino-7-methoxy-3-methyl-1H-indol-4-yl)-acetic acid

(1-Benzenesulfonyl-5-benzenesulfonylamino-7-methoxy-3-methyl-1H-indol-4-yl)-acetic acid

Conditions
ConditionsYield
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
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

Acetic acid 5,8-bis-benzenesulfonylamino-6-methoxy-1,4-dihydro-naphthalen-2-yl ester
89005-13-0

Acetic acid 5,8-bis-benzenesulfonylamino-6-methoxy-1,4-dihydro-naphthalen-2-yl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid
2: 240 h / Ambient temperature
View Scheme
2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

Acetic acid 5,8-bis-benzenesulfonylamino-6-methoxy-4-methyl-1,4-dihydro-naphthalen-2-yl ester
89005-12-9

Acetic acid 5,8-bis-benzenesulfonylamino-6-methoxy-4-methyl-1,4-dihydro-naphthalen-2-yl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1) KOH, 2) Pb(OAc)4 / 2) acetic acid
2: 75 percent / 96 h / Ambient temperature
View Scheme
phthalic anhydride
85-44-9

phthalic anhydride

acetic anhydride
108-24-7

acetic anhydride

2-methoxy-1,4-phenylenediamine sulfate
66671-82-7

2-methoxy-1,4-phenylenediamine sulfate

2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]-1H-isoindole-1,3(2H)-dione
171368-33-5

2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]-1H-isoindole-1,3(2H)-dione

Conditions
ConditionsYield
With pyridine In water; N,N-dimethyl-formamide17.0 g (91% from free base)
...Expand

2,5-Diaminoanisole sulfate Consensus Reports

Reported in EPA TSCA Inventory.

2,5-Diaminoanisole sulfate 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%.

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.

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