1306829-95-7|3-Bromo-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine| Ambeed

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Quality Control of [ 1306829-95-7 ] Purity: 95% SDS Specification

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Product Details of [ 1306829-95-7 ]

CAS No. :	1306829-95-7
Formula :	C₆H₅BrN₄S
M.W :	245.10
SMILES Code :	CSC1=NC=C2C(NN=C2Br)=N1
MDL No. :	MFCD22415216
InChI Key :	PBEIXBIKEFRPGU-UHFFFAOYSA-N
Pubchem ID :	53375434

Safety of [ 1306829-95-7 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 1306829-95-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 1306829-95-7 ]

[ 1306829-95-7 ] Synthesis Path-Downstream 1~35

1
[ 107-10-8 ]
[ 1306829-95-7 ]
[ 1306829-96-8 ]

Yield	Reaction Conditions	Operation in experiment
88%		To a mixture of 3-bromo-6-(methylthio)-lH-pyrazolo[3,4-i/] pyrimidine (0.49 g, 2.0 mmol) in THF (5 mL) was added met -chloroperoxybenzoic acid (0.52 g, 99%, 3 mmol) at room temperature. The white mixture was stirred for 2 h and ^-propylamine (0.82 mL, 10 mmol) was added at 0 C. The resulting solution was heated at 40 C for 12 h. After removal of the solvent, MeOH was added and the mixture was filtered. The white solid was washed with MeOH (3x) and dried to provide 3-bromo-N-propyl-lH-pyrazolo[3,4-iif]pyrimidin-6- amine (0.45 g, 88%) as a white solid. 1H NMR (400 MHz, DMSO-^6) δ 13.19 (bs, 1H), 8.63 (s, 1H), 7.69 (bs, 1H), 3.29-3.17 (m, 2H), 1.61 - 1.49 (m, 2H), 0.88 (t, J = 7.4 Hz, 3H); 13C NMR (100 MHz, DMSO-t/6) δ 161.61, 156.98, 152.71, 120.06, 106.66, 42.68, 21.72, 11.47; MS m/z 256.1 [M+l].

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]Patent: WO2011/146313,2011,A1 .Location in patent: Page/Page column 57.

2
[ 1306829-95-7 ]
C₁₅H₁₆BrN₅ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

3
[ 1306829-95-7 ]
C₁₄H₁₅BrN₆ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

4
[ 1306829-95-7 ]
[ 1306830-00-1 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[3]Patent: WO2011/146313,2011,A1 .

5
[ 1306829-95-7 ]
[ 1306830-01-2 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

6
[ 1306829-95-7 ]
[ 1306830-02-3 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

7
[ 1306829-95-7 ]
[ 1306830-03-4 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

8
[ 1306829-95-7 ]
[ 1306830-04-5 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

9
[ 1306829-95-7 ]
[ 1306830-05-6 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

10
[ 1306829-95-7 ]
[ 1306830-06-7 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

11
[ 1306829-95-7 ]
[ 1306830-07-8 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

12
[ 1306829-95-7 ]
[ 1306830-08-9 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

13
[ 1306829-95-7 ]
[ 1306830-09-0 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

14
[ 1306829-95-7 ]
[ 1306830-10-3 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

15
[ 1306829-95-7 ]
[ 1306830-11-4 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

16
[ 1306829-95-7 ]
[ 1306830-12-5 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

17
[ 1306829-95-7 ]
[ 1306830-13-6 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

18
[ 1306829-95-7 ]
[ 1306830-14-7 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

19
[ 1306829-95-7 ]
[ 1306830-15-8 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

20
[ 1306829-95-7 ]
[ 1306830-16-9 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

21
[ 1306829-95-7 ]
[ 1306830-17-0 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

22
[ 1306829-95-7 ]
[ 1306830-18-1 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

23
[ 1306829-95-7 ]
[ 1306830-19-2 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

24
[ 1306829-95-7 ]
[ 1306830-20-5 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

25
[ 1306829-95-7 ]
[ 1306830-21-6 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

26
[ 1306829-95-7 ]
[ 1306830-22-7 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

27
[ 1306829-95-7 ]
[ 1306830-23-8 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

28
[ 1306829-95-7 ]
[ 1306830-24-9 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

29
[ 1306829-95-7 ]
C₆H₅BrN₄OS [ No CAS ]
3-bromo-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

30
[ 1306829-95-7 ]
C₁₅H₁₆N₄OS [ No CAS ]
C₁₅H₁₆N₄O₂S [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

31
[ 1306829-95-7 ]
[ 1306829-99-1 ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

32
[ 1306829-95-7 ]
C₁₄H₂₀BrN₅ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.
[2]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

33
[ 1306829-95-7 ]
C₁₁H₁₆BrN₅ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

34
[ 1306829-95-7 ]
C₁₉H₂₉BrN₆O₂ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

35
[ 1306829-95-7 ]
C₁₄H₂₁BrN₆ [ No CAS ]

References: [1]ACS Combinatorial Science,2011,vol. 13,p. 414 - 420.

Historical Records

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Nucleophilicity of Sulfur Compounds • Oxidation States of Sulfur Compounds • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

Related Functional Groups of
[ 1306829-95-7 ]

Bromides

A649114 [1378860-94-6]

3-Bromo-4-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Similarity: 0.81

Sulfides

A649114 [1378860-94-6]

3-Bromo-4-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Similarity: 0.81

Related Parent Nucleus of
[ 1306829-95-7 ]

Other Aromatic Heterocycles

A649114 [1378860-94-6]

3-Bromo-4-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Similarity: 0.81

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
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Code	Phrase
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Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
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P322
P330	Rinse mouth.
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
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P411
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
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Disposal
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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H260	In contact with water releases flammable gases which may ignite spontaneously
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Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
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H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1306829-95-7

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