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1452-15-9

Basic Information
CAS No.: 1452-15-9
Name: 4-Thiazolecarbonitrile
Molecular Structure:
Molecular Structure of 1452-15-9 (4-Thiazolecarbonitrile)
Formula: C4H2N2S
Molecular Weight: 110.14
Synonyms: 4-Cyanothiazole;
EINECS: 215-919-4
Density: 1.33 g/cm3
Melting Point: 60-61℃
Boiling Point: 235.3 °C at 760 mmHg
Flash Point: 96.1 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes: 10-20/21/22
Safety: 16-26-36
Transport Information:
PSA: 64.92000
LogP: 1.01478
Synthetic route
3364-80-5

1,3-thiazole-4-carbaldehyde

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 100℃;95%
557-21-1

zinc(II) cyanide

34259-99-9

4-bromo-1,3-thiazole

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
With C12H10N(1-)*CH3O3S(1-)*Pd(2+)*C39H32OP2 In tetrahydrofuran; water at 65℃; for 4h; Micellar solution;93%
With [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate In tetrahydrofuran; water at 40℃; for 18h; Inert atmosphere;78%

potassiumhexacyanoferrate(II) trihydrate

34259-99-9

4-bromo-1,3-thiazole

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
With C42H58NO3PPdS(2-); potassium acetate; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube;89%
3575-09-5

1,3-thiazole-4-carboxamide

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
at 325℃; for 1h; Temperature;85%
With triethylamine; trifluoroacetic anhydride In tetrahydrofuran at 0 - 20℃; for 2h;55.2%
With phosphorus pentoxide at 200℃;
3973-08-8

Thiazole-4-carboxylic acid

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
Stage #1: Thiazole-4-carboxylic acid With 2-(1H-9-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluroniumhexafluorophosphate; ammonium chloride
Stage #2: With triethylamine; trifluoroacetic anhydride at 0 - 20℃; for 6h;
83%
29392-46-9

ethyl thioformate

5018-27-9

N-formylamino-acetonitrile

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
(i) Et3N, POCl3, CH2Cl2, (ii) /BRN= 1737704/, EtOH; Multistep reaction;
115-08-2

thiocarboxamide

36641-13-1

β,β-dichloro-α-amino-acrylonitrile

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
With p-toluenesulfonic acid monohydrate In acetone
14904-70-2

[11C]hydrogen cyanide

34259-99-9

4-bromo-1,3-thiazole

1452-15-9

thiazole-4-carbonitrile

Conditions
ConditionsYield
Stage #1: 4-bromo-1,3-thiazole With C41H57P In toluene at 20℃; for 0.5h;
Stage #2: [11C]hydrogen cyanide In tetrahydrofuran at 100℃; for 0.0166667h;
1452-15-9

thiazole-4-carbonitrile

95-54-5

1,2-diamino-benzene

50-81-7

ascorbic acid

148-79-8

thiabendazole

Conditions
ConditionsYield
With hydrogenchloride; ethylenediaminetetraacetic acid In water92.7%
1452-15-9

thiazole-4-carbonitrile

39145-59-0

o-phenylenediamine hydrochloride

95-54-5

1,2-diamino-benzene

50-81-7

ascorbic acid

148-79-8

thiabendazole

Conditions
ConditionsYield
With hydrogenchloride; ethylenediaminetetraacetic acid In methanol; water91.7%
With hydrogenchloride; ethylenediaminetetraacetic acid In water
1452-15-9

thiazole-4-carbonitrile

95-54-5

1,2-diamino-benzene

50-81-7

ascorbic acid

71-36-3

butan-1-ol

148-79-8

thiabendazole

Conditions
ConditionsYield
With methanesulfonic acid In water87.1%
With acetic acid In water75.4%
1452-15-9

thiazole-4-carbonitrile

62-53-3

aniline

C10H9N3S*ClH

Conditions
ConditionsYield
With hydrogenchloride In 1,2-dichloro-benzene at 55 - 140℃;86.83%
With hydrogenchloride In 1,2-dichloro-benzene at 135℃; for 3h;
1452-15-9

thiazole-4-carbonitrile

5329-14-6

aminosulfonic acid

95-54-5

1,2-diamino-benzene

50-81-7

ascorbic acid

71-36-3

butan-1-ol

148-79-8

thiabendazole

Conditions
ConditionsYield
In water75.7%
1452-15-9

thiazole-4-carbonitrile

tin(II)chloride dihydrate

95-54-5

1,2-diamino-benzene

50-81-7

ascorbic acid

71-36-3

butan-1-ol

148-79-8

thiabendazole

Conditions
ConditionsYield
In water74.5%
1452-15-9

thiazole-4-carbonitrile

79-19-6

thiosemicarbazide

5-(thiazol-4-yl)-1,3,4-thiadiazol-2-amine

Conditions
ConditionsYield
With trifluoroacetic acid at 80℃; Reflux;72.3%
1452-15-9

thiazole-4-carbonitrile

127099-85-8, 780722-26-1

N-Cyanoguanidine

6-(thiazol-4-yl)-1,3,5-triazine-2,4-diamine

Conditions
ConditionsYield
With potassium hydroxide In 2-ethoxy-ethanol at 130 - 135℃; for 10h;65%
1452-15-9

thiazole-4-carbonitrile

925-90-6

ethylmagnesium bromide

1240521-86-1

1-(thiazol-4-yl)cyclopropanamine

Conditions
ConditionsYield
Stage #1: thiazole-4-carbonitrile; ethylmagnesium bromide With titanium(IV) isopropylate In diethyl ether; toluene at -70 - 20℃; for 1.25h;
Stage #2: With boron trifluoride diethyl etherate In diethyl ether; toluene for 1.5h;
Stage #3: With hydrogenchloride; water In diethyl ether; toluene
49%
Stage #1: thiazole-4-carbonitrile With titanium(IV) isopropylate In tetrahydrofuran at 0℃; for 0.25h;
Stage #2: ethylmagnesium bromide In tetrahydrofuran; diethyl ether at 0 - 20℃; for 2.5h;
Stage #3: With boron trifluoride diethyl etherate In tetrahydrofuran; diethyl ether for 0.25h;
1452-15-9

thiazole-4-carbonitrile

(R)-2-methylcysteine hydrochloride methyl ester

1592904-89-6

C9H10N2O2S2

Conditions
ConditionsYield
With triethylamine In methanol at 50℃; for 48h;42.7%
1452-15-9

thiazole-4-carbonitrile

1201794-87-7

1-amino-1-deoxy-D-fructose acetic acid salt

1160957-43-6

(1R,2S,3R)-1-(2-(thiazol-4-yl)-1H-imidazol-4-yl)butane-1,2,3,4-tetraol

Conditions
ConditionsYield
Stage #1: thiazole-4-carbonitrile With sodium methylate In methanol at 20℃; for 1h;
Stage #2: 1-amino-1-deoxy-D-fructose acetic acid salt In methanol at 20℃; for 6h; Further stages;
9%
1452-15-9

thiazole-4-carbonitrile

80653-66-3

thiazole-4-carbothioamide

Conditions
ConditionsYield
With hydrogen sulfide; diethylamine; benzene
With hydrogen sulfide; triethylamine In ethanol
1452-15-9

thiazole-4-carbonitrile

13754-19-3

4,5-pyrimidinediamine

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

917-64-6

methyl magnesium iodide

38205-66-2

1-(thiazol-4-yl)ethan-1-one

Conditions
ConditionsYield
In diethyl ether Heating;
1452-15-9

thiazole-4-carbonitrile

6965-92-0

4,5-diamino-6-methylthiopyrimidine

65911-14-0

6-methylsulfanyl-8-thiazol-4-yl-7(9)H-purine

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

60914-71-8

6-methyl-2,4,5-triaminopyrimidine

65911-19-5

6-methyl-8-thiazol-4-yl-7(9)H-purin-2-ylamine

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

61772-85-8

2,6-bis(methylthio)pyrimidine-4,5-diamine

65911-18-4

2,6-bis-methylsulfanyl-8-thiazol-4-yl-7(9)H-purine

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

1672-50-0

4,5-diamino-6-hydroxypyrimidine

65911-13-9

8-thiazol-4-yl-1,7(9)-dihydro-purin-6-one

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

2846-89-1

4,5-Diamino-6-mercaptopyrimidine

65911-27-5

8-thiazol-4-yl-1,7(9)-dihydro-purine-6-thione

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

31295-41-7

4,5-diamino-2,6-dimercaptopyrimidine

136068-15-0

8-thiazol-4-yl-3,7(9)-dihydro-purine-2,6-dithione

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

4765-67-7

6-methylsulfanyl-pyrimidine-2,4,5-triamine

65911-16-2

6-methylsulfanyl-8-thiazol-4-yl-7(9)H-purin-2-ylamine

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

1004-75-7

2,5,6-triamino-4-hydroxypyrimidine

65911-15-1

2-amino-8-thiazol-4-yl-1,7(9)-dihydro-purin-6-one

1452-15-9

thiazole-4-carbonitrile

54-19-3

2,5,6-triamino-3H-pyrimidine-4-thione

65911-28-6

2-amino-8-thiazol-4-yl-1,7(9)-dihydro-purine-6-thione

Conditions
ConditionsYield
With PPA at 180 - 210℃;
1452-15-9

thiazole-4-carbonitrile

89829-63-0

N-hydroxy-thiazole-4-carboximidic acid amide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium acetate In ethanol
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Specification

The 4-Thiazolecarbonitrile, with the CAS registry number 1452-15-9, is also known as 4-Cyanothiazole. Its EINECS registry number is 215-919-4. This chemical's molecular formula is C4H2N2S and molecular weight is 110.13708. Its IUPAC name is called 1,3-thiazole-4-carbonitrile.

Physical properties of 4-Thiazolecarbonitrile: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -0.12; (3)ACD/LogD (pH 7.4): -0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.41; (7)ACD/KOC (pH 7.4): 20.41; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 27.26 cm3; (11)Molar Volume: 82.5 cm3; (12)Surface Tension: 63.8 dyne/cm; (13)Density: 1.33 g/cm3; (14)Flash Point: 96.1 °C; (15)Enthalpy of Vaporization: 47.21 kJ/mol; (16)Boiling Point: 235.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0505 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and is harmful by inhalation, in contact with skin and if swallowed. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=CS1)C#N
(2)InChI: InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
(3)InChIKey: PNAFRZGWUVQUKH-UHFFFAOYSA-N