Product Name

  • Name

    O-Methylisourea hemisulfate

  • EINECS 257-851-8
  • CAS No. 52328-05-9
  • Density
  • Solubility 1000 g/L (20 °C) in water
  • Melting Point 163-167 °C(lit.)
  • Formula 2(C2H6N2O).H2SO4
  • Boiling Point 66.9 °C at 760 mmHg
  • Molecular Weight 246.244
  • Flash Point 165.7 °C
  • Transport Information
  • Appearance white crystalline powder or powder
  • Safety 24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 52328-05-9 (O-Methylisourea hemisulfate)
  • Hazard Symbols Xi
  • Synonyms methoxymethanimidamide;Bis(2-methylisouronium) sulphate;O-Methylisourea Sulfate;
  • PSA 201.18000
  • LogP 1.08060

Synthetic route

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

4-Chlorophenyl isothiocyanate
2131-55-7

4-Chlorophenyl isothiocyanate

O-methyl-1-(p-chlorophenyl)-2-thioisobiuret
133252-65-0

O-methyl-1-(p-chlorophenyl)-2-thioisobiuret

Conditions
ConditionsYield
With potassium hydroxide In acetone for 0.5h; Heating;95%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2,3,4-tri-O-acetyl-α-D-arabinopyranosyl isotyhiocyanate
62414-75-9

2,3,4-tri-O-acetyl-α-D-arabinopyranosyl isotyhiocyanate

C14H21N3O8S
77049-61-7

C14H21N3O8S

Conditions
ConditionsYield
With triethylamine In acetonitrile for 24h; Ambient temperature;93%
2-iminiomethylvinamidinium trichloride

2-iminiomethylvinamidinium trichloride

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2-methoxy-pyrimidine-5-carbaldehyde
90905-32-1

2-methoxy-pyrimidine-5-carbaldehyde

Conditions
ConditionsYield
With potassium hydrogencarbonate In Isopropyl acetate; water at 20℃; for 40h;93%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

cyclohexylamine
108-91-8

cyclohexylamine

cyclohexyl-guanidine; sulfate
6331-57-3, 14948-93-7, 62512-84-9

cyclohexyl-guanidine; sulfate

Conditions
ConditionsYield
In water a) 60 deg C, 2 h, b) r.t., overnight;91%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate
14152-97-7

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

C17H25N3O10S
77049-60-6

C17H25N3O10S

Conditions
ConditionsYield
With triethylamine In acetonitrile for 24h; Ambient temperature;89%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2,2-diethoxy-ethanamine
645-36-3

2,2-diethoxy-ethanamine

2-aminoimidazole hemisulfate
1450-93-7, 36946-29-9, 42383-61-9

2-aminoimidazole hemisulfate

Conditions
ConditionsYield
Stage #1: O-methylisourea hemisulfate; 2,2-diethoxy-ethanamine In water at 50℃; for 4h;
Stage #2: With sulfuric acid In water at 100℃; for 2h; pH=2.5;		86%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

C2H6N2O*HN5

C2H6N2O*HN5

Conditions
ConditionsYield
With barium pentazolate In methanol; water at 20℃; for 6h;86%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

(Z)-2-[4-(tert-Butyl-dimethyl-silanyloxy)-butyryl]-pentadec-2-enoic acid methyl ester
140175-93-5, 140175-94-6

(Z)-2-[4-(tert-Butyl-dimethyl-silanyloxy)-butyryl]-pentadec-2-enoic acid methyl ester

methyl 6-<3-<(tert-butyldimethylsilyl)oxy>propyl>-4-dodecyl-1,4-dihydro-2-methoxypyrimidine-5-carboxylate
140176-04-1

methyl 6-<3-<(tert-butyldimethylsilyl)oxy>propyl>-4-dodecyl-1,4-dihydro-2-methoxypyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 60℃; for 12h;79%
pyridine-2-carbaldehyde
1121-60-4

pyridine-2-carbaldehyde

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

ethyl acetoacetate
141-97-9

ethyl acetoacetate

C14H17N3O3

C14H17N3O3

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 3h; Inert atmosphere; Alkaline conditions;79%
...Expand
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

(E)-1-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-2,3,4,4,5,5,5-heptafluoropent-2-en-1-one
698386-24-2

(E)-1-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-2,3,4,4,5,5,5-heptafluoropent-2-en-1-one

6-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-5-fluoro-2-methoxy-4-(perfluoroethyl)pyrimidine

6-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-5-fluoro-2-methoxy-4-(perfluoroethyl)pyrimidine

Conditions
ConditionsYield
With potassium hydroxide In dichloromethane at 20℃; for 24h;78%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

4-Bromophenyl isothiocyanate
1985-12-2

4-Bromophenyl isothiocyanate

O-methyl-1-(p-bromophenyl)-2-thioisobiuret
132533-31-4

O-methyl-1-(p-bromophenyl)-2-thioisobiuret

Conditions
ConditionsYield
With potassium hydroxide In acetone Heating;76%
5-Methylfurfural
620-02-0

5-Methylfurfural

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

ethyl acetoacetate
141-97-9

ethyl acetoacetate

C14H18N2O4

C14H18N2O4

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 75℃; for 16h; Inert atmosphere; Alkaline conditions;75.7%
...Expand
Dimethyl oxalate
553-90-2

Dimethyl oxalate

methyl fluoroacetate
453-18-9

methyl fluoroacetate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

C7H7FN2O4

C7H7FN2O4

Conditions
ConditionsYield
Stage #1: Dimethyl oxalate; methyl fluoroacetate With sodium methylate In toluene at 25℃; for 2h;
Stage #2: O-methylisourea hemisulfate With sodium methylate In toluene at 35℃; for 8h;		70%
...Expand
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride
176214-18-9

N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride

2-Methoxy-5-trifluoromethyl-pyrimidine

2-Methoxy-5-trifluoromethyl-pyrimidine

Conditions
ConditionsYield
With sodium methylate In methanol; acetonitrile for 3h; Ambient temperature;69%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2-(Benzoyloxymethylene)-4,4-(ethylenedioxy)cyclohexan-1-one
161694-48-0

2-(Benzoyloxymethylene)-4,4-(ethylenedioxy)cyclohexan-1-one

6.6-(Ethylenedioxy)-5,6,7,8-tetrahydro-2-methoxyquinazoline
161694-49-1

6.6-(Ethylenedioxy)-5,6,7,8-tetrahydro-2-methoxyquinazoline

Conditions
ConditionsYield
With triethylamine In ethanol for 24h; Heating;68%
With triethylamine In ethanol
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

(S)-1-[(10R,13S,16S,19S,22R)-19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carbonyl]-pyrrolidine-2-carboxylic acid (4-amino-butyl)-amide
99733-17-2

(S)-1-[(10R,13S,16S,19S,22R)-19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carbonyl]-pyrrolidine-2-carboxylic acid (4-amino-butyl)-amide

(S)-1-[(10R,13S,16S,19S,22R)-19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carbonyl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide
99733-16-1

(S)-1-[(10R,13S,16S,19S,22R)-19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carbonyl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide

Conditions
ConditionsYield
With sodium hydroxide In water at 0℃;64%
(7E)-7-[(dimethylamino)methylidene]-N-methoxy-N,1-dimethyl-8-oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
1392049-29-4

(7E)-7-[(dimethylamino)methylidene]-N-methoxy-N,1-dimethyl-8-oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

N,9-dimethoxy-N,1-dimethyl-1,4,5,6-tetrahydropyrazolo[4',3':6,7]cyclohepta[1,2-d]pyrimidine-3-carboxamide
1392049-89-6

N,9-dimethoxy-N,1-dimethyl-1,4,5,6-tetrahydropyrazolo[4',3':6,7]cyclohepta[1,2-d]pyrimidine-3-carboxamide

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 16h; Reflux;62%
ethyl 2-fluoroacetate
459-72-3

ethyl 2-fluoroacetate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

C8H9FN2O4

C8H9FN2O4

Conditions
ConditionsYield
Stage #1: ethyl 2-fluoroacetate; oxalic acid diethyl ester With sodium methylate In toluene at 30℃; for 2h;
Stage #2: O-methylisourea hemisulfate With sodium methylate In toluene at 35℃; for 8h;		62%
...Expand
furfural
98-01-1

furfural

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

ethyl acetoacetate
141-97-9

ethyl acetoacetate

ethyl 4-(2-furyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 4-(2-furyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 3h; Inert atmosphere; Alkaline conditions;57%
...Expand
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
87663-03-4

3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide

N-(2-Guanidinoethyl)-3,5-diamino-6-chloropyrazine-2-carboxamide sulfate
147452-34-4

N-(2-Guanidinoethyl)-3,5-diamino-6-chloropyrazine-2-carboxamide sulfate

Conditions
ConditionsYield
In water at 20℃; for 1.5h;55%
allyl acetoacetate
1118-84-9

allyl acetoacetate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

4-cyanobenzaldehyde
105-07-7

4-cyanobenzaldehyde

4-(4-cyanophenyl)-2-methoxy-6-methyl-1,4-dihydro-pyrimidine-5-carboxylic acid allyl ester
1333000-84-2

4-(4-cyanophenyl)-2-methoxy-6-methyl-1,4-dihydro-pyrimidine-5-carboxylic acid allyl ester

Conditions
ConditionsYield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 70℃; Inert atmosphere;53%
...Expand
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

methyl 2-[(3,4-difluorophenyl)-methylene]-3-oxo-4-methoxybutyrate

methyl 2-[(3,4-difluorophenyl)-methylene]-3-oxo-4-methoxybutyrate

5-methoxycarbonyl-1,6-dihydro-2-methoxy-4-methoxymethyl-6-(3,4-difluorophenyl)pyrimidine
179482-46-3, 179482-49-6

5-methoxycarbonyl-1,6-dihydro-2-methoxy-4-methoxymethyl-6-(3,4-difluorophenyl)pyrimidine

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol47%
With sodium hydrogencarbonate In ethanol
ethyl 2-cyano-4,4-diethoxybutyrate
52133-67-2

ethyl 2-cyano-4,4-diethoxybutyrate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

3,4-dihydro-2-methoxy-4-oxo-7H-pyrrolo<2,3-d>pyrimidine
90057-07-1

3,4-dihydro-2-methoxy-4-oxo-7H-pyrrolo<2,3-d>pyrimidine

Conditions
ConditionsYield
With sodium methylate In methanol for 4h; Heating;46%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

1-isothiocyanato-4-methylbenzene
622-59-3

1-isothiocyanato-4-methylbenzene

O-methyl-1-(p-tolyl)-2-thioisobiuret
132533-30-3

O-methyl-1-(p-tolyl)-2-thioisobiuret

Conditions
ConditionsYield
With potassium hydroxide In acetone Heating;46%
ethyl-3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enoate
66129-60-0

ethyl-3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enoate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

ethyl 4-phenyl-2-methoxypyrimidine-5-carboxylate
862838-05-9

ethyl 4-phenyl-2-methoxypyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium hydrogencarbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 12h;46%
3-chloro-4H-chromen-4-one
18333-00-1

3-chloro-4H-chromen-4-one

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

2-methoxybenzofuro[3,2-d]pyrimidine
1374216-08-6

2-methoxybenzofuro[3,2-d]pyrimidine

Conditions
ConditionsYield
With 1,10-Phenanthroline; 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(I) bromide In N,N-dimethyl-formamide at 90℃; for 10h; Michael condensation; Inert atmosphere; chemoselective reaction;46%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

valeric acid
109-52-4

valeric acid

C7H14N2O2
847355-27-5

C7H14N2O2

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide)42%
benzyl 2-[(2,4-difluorophenyl)methylene]-3-oxopentanoate

benzyl 2-[(2,4-difluorophenyl)methylene]-3-oxopentanoate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

5-(benzyloxycarbonyl)-1,6-dihydro-2-methoxy-4-ethyl-6-(2,4-difluorophenyl)pyrimidine
191353-81-8, 191353-84-1

5-(benzyloxycarbonyl)-1,6-dihydro-2-methoxy-4-ethyl-6-(2,4-difluorophenyl)pyrimidine

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol42%
With sodium hydrogencarbonate In ethanol
potassium (Z)-2-cyano-2-fluoroethenolate

potassium (Z)-2-cyano-2-fluoroethenolate

O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

4-amino-5-fluoro-2-methoxypyrimidine
1993-63-1

4-amino-5-fluoro-2-methoxypyrimidine

Conditions
ConditionsYield
In methanol; water at 20℃; for 23h; Schlenk technique;41%
O-methylisourea hemisulfate
52328-05-9

O-methylisourea hemisulfate

(9E)-(+/-)-<6-(Benzoyloxymethylene)-3-methyl-7-oxobicyclo<3.3.1>non-3-en-1-yl>carbamic acid methyl ester

(9E)-(+/-)-<6-(Benzoyloxymethylene)-3-methyl-7-oxobicyclo<3.3.1>non-3-en-1-yl>carbamic acid methyl ester

(11E)-(+/-)-(11-Ethylidene-5,8,9,10-tetrahydro-7-methyl-5,9-methanocyclooctapyrimidin-9-yl)carbamic acid methyl ester

(11E)-(+/-)-(11-Ethylidene-5,8,9,10-tetrahydro-7-methyl-5,9-methanocyclooctapyrimidin-9-yl)carbamic acid methyl ester

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 80℃; for 24h;37%
With triethylamine In N,N-dimethyl-formamide

O-Methylisourea hemisulfate Specification

The O-Methylisourea hemisulfate, with the CAS registry number 52328-05-9, is also known as Bis(2-methylisouronium) sulphate. Its EINECS number is 257-851-8. This chemical's molecular formula is 2(C2H6N2O).H2SO4 and formula weight is 246.24. What's more, its systematic name is called methyl carbamimidate sulfate (2:1). This chemical is white crystals or crystalline powder. When you are using this chemical, please be cautious about it, you should avoid contact it with your skin and eyes.

Physical properties of O-Methylisourea hemisulfate: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 10; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 110.64 Å2; (6)Flash Point: 210.7 °C; (7)Melting Point: 163-167 °C(lit.); (8)Enthalpy of Vaporization: 74.5 kJ/mol; (9)Boiling Point: 424.7 °C at 760 mmHg; (10)Vapour Pressure: 2.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.[N@H]=C(OC)N.[N@H]=C(OC)N
(2)InChI: InChI=1/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
(3)InChIKey: QSCPQKVWSNUJLJ-UHFFFAOYAL

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