[ CAS No. 4886-13-9 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 4886-13-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 4886-13-9 ]

SDS Specification

Alternatived Products of [ 4886-13-9 ]

Product Details of [ 4886-13-9 ]

CAS No. :	4886-13-9	MDL No. :	MFCD00173834
Formula :	C₆H₆N₂S₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	202.32	Pubchem ID :	-
Synonyms :

Safety of [ 4886-13-9 ]

Signal Word:		Class:
Precautionary Statements:		UN#:
Hazard Statements:		Packing Group:

Application In Synthesis of [ 4886-13-9 ]

* 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 [ 4886-13-9 ]

[ 4886-13-9 ] Synthesis Path-Downstream 1~26

1
[ 4886-13-9 ]
[ 4886-14-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

2
[ 4886-13-9 ]
[ 25882-60-4 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide In acetic acid

Reference： [1]Hoyer,G.A.; Kless,M. [Tetrahedron Letters, 1969, p. 4265 - 4268]

3
[ 4886-13-9 ]
[ 26079-04-9 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide In acetic acid

Reference： [1]Hoyer,G.A.; Kless,M. [Tetrahedron Letters, 1969, p. 4265 - 4268]

4
[ 4886-13-9 ]
[ 4886-22-0 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide In acetic anhydride; acetic acid

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

5
[ 77-78-1 ]
[ 89488-65-3 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	(i) aq. KOH, (ii) /BRN= 635994/; Multistep reaction;

Reference： [1]Soederbaeck,E. [Acta Chemica Scandinavica (1947), 1963, vol. 17, p. 362 - 376]

6
[ 75-15-0 ]
[ 77-78-1 ]
[ 109-77-3 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	(i) NaOEt, EtOH, (ii) sulfur, (iii) /BRN= 635994/, H₂O; Multistep reaction;

Reference： [1]Soederbaeck,E. [Acta Chemica Scandinavica (1947), 1963, vol. 17, p. 362 - 376]

7
[ 3889-65-4 ]
[ 74-88-4 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	(i) Na₂S, (ii) /BRN= 969135/; Multistep reaction;

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 660 - 665]

8
[ 2120-82-3 ]
[ 74-88-4 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	(i) Na₂S, MeOH, H₂O, (ii) /BRN= 969135/; Multistep reaction;

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 660 - 665]

9
[ 2076-67-7 ]
[ 74-88-4 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	In water; acetone Ambient temperature;

Reference： [1]Poite,J.-C. et al. [Bulletin de la Societe Chimique de France, 1972, p. 2296 - 2299]
[2]Hoyer,G.A.; Kless,M. [Tetrahedron Letters, 1969, p. 4265 - 4268]

10
C₁₆H₃₂N₄S₂ [ No CAS ]
[ 74-88-4 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	(i) sulfur, MeOH, (ii) /BRN= 969135/; Multistep reaction;

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

11
[ 2076-67-7 ]
[ 107-14-2 ]
[ 77-78-1 ]
[ 72436-95-4 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	1.) MeOH, 30 min, 2.) EtOH, 2 h; Yield given. Multistep reaction;

Reference： [1]Gewald, K.; Radke, W.; Hain, U. [Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 1021 - 1031]

12
[ 2076-67-7 ]
[ 78-95-5 ]
[ 77-78-1 ]
[ 76336-97-5 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	1.) MeOH, 30 min, 2.) EtOH, 2 h; Yield given. Multistep reaction;

Reference： [1]Gewald, K.; Radke, W.; Hain, U. [Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 1021 - 1031]

13
[ 2076-67-7 ]
[ 77-78-1 ]
[ 79-07-2 ]
[ 77726-54-6 ]
[ 4886-13-9 ]

Yield	Reaction Conditions	Operation in experiment
	1.) MeOH, 30 min, 2.) EtOH, 2 h; Yield given. Multistep reaction;

Reference： [1]Gewald, K.; Radke, W.; Hain, U. [Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 1021 - 1031]

Yield	Reaction Conditions	Operation in experiment
	Ox. mit H2O2;

Yield	Reaction Conditions	Operation in experiment
	Malonsaeuredinitril, 1. CS2 in 2n NaOH, 2. S, 3. Dimethylsulfat;
	3.5-Dimercapto-isothiazol-4-carbonitril, 2 Mol CH3I, Ausb. 80percent;
	Dicyanethylen 3, CH3J;

	Entspr. Malonitril, S;
	Malonic acid dinitrile; 1) S, CS2, NaOH <Δ>, 2) MeI;

16
[ 67-56-1 ]
[ 4886-13-9 ]
[ 2272-94-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With sulfuric acid

Reference： [1]Lippa, Blaise; Morris, Joel; Corbett, Matthew; Kwan, Tricia A.; Noe, Mark C.; Snow, Sheri L.; Gant, Thomas G.; Mangiaracina, Melchiorra; Coffey, Heather A.; Foster, Barbara; Knauth, Elisabeth A.; Wessel, Matthew D. [Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 13, p. 3444 - 3448]

17
[ 4886-13-9 ]
[ 651305-81-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 93 percent / aq. H₂SO₄ 2: 94 percent / oxone 3: 75 percent / NH₃ / tetrahydrofuran

18
[ 4886-13-9 ]
[ 651305-80-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 93 percent / aq. H₂SO₄ 2: 94 percent / oxone

19
[ 4886-13-9 ]
[ 651305-82-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 93 percent / aq. H₂SO₄ 2: 94 percent / oxone 3: 75 percent / NH₃ / tetrahydrofuran 4: 82 percent / NaH

20
[ 4886-13-9 ]
[ 4886-15-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

21
[ 4886-13-9 ]
[ 4886-16-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂ 3: SOCl₂ / Heating

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

22
[ 4886-13-9 ]
[ 2272-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂ 3: SOCl₂ / Heating

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

23
[ 4886-13-9 ]
[ 4886-18-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂ 3: SOCl₂ / Heating 4: diethyl ether

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

24
[ 4886-13-9 ]
[ 91392-26-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂ 3: SOCl₂ / Heating 4: diethyl ether / Heating

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

25
[ 4886-13-9 ]
[ 88614-22-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: H₂SO₄ 2: aq. H₂SO₄, aq. NaNO₂ 3: SOCl₂ / Heating 4: Et₃N / tetrahydrofuran

Reference： [1]Hatchard,W.R. [Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]

26
[ 504-24-5 ]
[ 4886-13-9 ]
[ 651305-73-6 ]

Yield	Reaction Conditions	Operation in experiment
81%	Stage #1: 4-aminopyridine With potassium <i>tert</i>-butylate In tetrahydrofuran at 20℃; for 1h; Stage #2: 3,5-bis-methylsulfanyl-isothiazole-4-carbonitrile for 72h;	2 Preparation 2 4-aminopyridine (930 mg, 9.9 [MMOL)] is dissolved in anhydrous THF (30 mL) and potassium tertbutoxide (1.11 g, 9.9 [MMOI)] is added. The resulting solution is stirred for 1 hour at room temperature. 3, 5-Bis-methylsulfanyl-isothiazole-4-carbonitrile (6) (1. [0G,] 4.94 [MMOL)] is added and the reaction is stirred for 3 days. Ammonium chloride (173 mg, 9.9 [MMOL)] is added and the resulting suspension is stirred at room temperature for 30 min. A small amount of water is added and the solution is filtered. The mother liquor is concentrated in vacuo. Chromatography (5% MeOH/methylene chloride) provides 7 (1. 0g, [81%). H] NMR (d6 DMSO): [8] 8.29 (2H, broad s), 7.04 (2H, broad s), 2.60 (3H, s).

Reference： [1]Current Patent Assignee: ASTELLAS PHARMA INC.; PFIZER INC - WO2004/11461, 2004, A1 Location in patent: Page 29-30

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P102	Keep out of reach of children.
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Code	Phrase
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Code	Phrase
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P313	Get medical advice/attention.
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
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P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P378
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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.
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P401
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H401	Toxic to aquatic life
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H410	Very toxic to aquatic life with long-lasting effects
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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

[ CAS No. 4886-13-9 ] {[proInfo.proName]}

Quality Control of [ 4886-13-9 ]

Related Doc. of [ 4886-13-9 ]

Product Details of [ 4886-13-9 ]

Safety of [ 4886-13-9 ]

Application In Synthesis of [ 4886-13-9 ]

[ 4886-13-9 ] Synthesis Path-Downstream 1~26

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry