Home Cart 0 Sign in  

[ CAS No. 878671-95-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 878671-95-5
Chemical Structure| 878671-95-5
Structure of 878671-95-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 878671-95-5 ]

Related Doc. of [ 878671-95-5 ]

Alternatived Products of [ 878671-95-5 ]

Product Details of [ 878671-95-5 ]

CAS No. :878671-95-5 MDL No. :MFCD11113208
Formula : C14H11NS Boiling Point : -
Linear Structure Formula :- InChI Key :CCPTWMNSFHCZPB-UHFFFAOYSA-N
M.W :225.31 Pubchem ID :56595458
Synonyms :

Safety of [ 878671-95-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405 UN#:2811
Hazard Statements:H301+H331-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 878671-95-5 ]

* 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.

  • Upstream synthesis route of [ 878671-95-5 ]
  • Downstream synthetic route of [ 878671-95-5 ]

[ 878671-95-5 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 878671-95-5 ]
  • [ 1937-19-5 ]
  • [ 878671-96-6 ]
YieldReaction ConditionsOperation in experiment
76% With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 12 h; The intermediate compound V (13.3mmol, 3.0g), aminoguanidine hydrochloride (26.6mmol, 2.9g) was added to 50mL of N, N-dimethyl formamide, was added under stirring N, N-diisopropylethylamine amine (39.9mmol, 5.1g), then the reaction 50 12h, the solvent was evaporated to dryness 20mL2M sodium hydroxide was added, and the reaction was continued 50 12h. After stopping the reaction, the reaction mixture was filtered, and the filtrate was washed with dilute hydrochloric acid to pH = 4, shows a large number of white precipitate was filtered, and then at a temperature of 45-50 dried under vacuum to give 2.85g the VI intermediate compound,(76percent)
49%
Stage #1: With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 15 h;
Stage #2: With sodium hydroxide In water at 50℃; for 60 h;
A mixture of aminoguanidine hydrochloride (3.18 g, 29 mmol), l-cyclopropyl-4- isothiocyanato-naphthalene (3.24 g, 14 mmol) and diisopropylethylamine (3 eq) in DMF (20 mL) was stirred at 50 0C for 15 hours. The solvent was evaporated, toluene was added, and the solvent was evaporated again. A 2.0 M aqueous solution of sodium hydroxide (30 mL) was added and the reaction mixture was heated at 50 0C for 60 hours. The reaction mixture was filtered, and the filtrate was neutralized with a 2.0 M aqueous solution of HCl. New filtration, then evaporation of solvent and purification of the residue by silica gel chromatography to yield 5-amino-4-(4-cyclopropylnaphthalen-l-yl)- 4H-[l,2,4]triazole-3-thiol (2.0 g, 49percent).
49%
Stage #1: With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 15 h;
Stage #2: at 50℃; for 60 h;
Stage #3: With hydrogenchloride In water
STEP E: 5-Amino-4-(l-cyclopropylnaphthalen-4-yl)-4H-l,2,4-triazole-3- thiolA mixture of aminoguanidine hydrochloride (3.18 g, 29 mmol), l-cyclopropyl-4- isothiocyanato naphthalene (3.24 g, 14 mmol) and diisopropylethylamine (3 eq) in DMF (20 mL) was stirred at 50 °C for 15 hours. The solvent was removed under reduced pressure, toluene added, and the solvent was evaporated again. Sodium hydroxide solution (2M, 30 mL) was added and the reaction mixture heated at 50 °C for 60 hours. The reaction mixture was filtered and the filtrate neutralized with aqueous HCl (2M). The mixture was re-filtered and the solvent removed under reduced pressure. The residue was purified by silica gel chromatography to yield 5-amino-4-(l-cyclopropylnaphthalen-4-yl)-4H-l,2,4-triazole-3- thiol (2.0 g, 49percent).
Reference: [1] Patent: CN105566237, 2016, A, . Location in patent: Paragraph 0066; 0067; 0068
[2] Patent: WO2009/70740, 2009, A2, . Location in patent: Page/Page column 89-90
[3] Patent: WO2006/26356, 2006, A2, . Location in patent: Page/Page column 21
[4] Patent: WO2011/85009, 2011, A2, . Location in patent: Page/Page column 37
  • 2
  • [ 878671-95-5 ]
  • [ 1151516-14-1 ]
Reference: [1] Patent: WO2011/85009, 2011, A2,
[2] Patent: WO2014/8295, 2014, A1,
[3] Patent: WO2014/8295, 2014, A1,
[4] Patent: CN105985295, 2016, A,
  • 3
  • [ 878671-95-5 ]
  • [ 1533519-84-4 ]
Reference: [1] Patent: WO2014/8295, 2014, A1,
[2] Patent: WO2014/198241, 2014, A1,
  • 4
  • [ 878671-95-5 ]
  • [ 1533519-85-5 ]
Reference: [1] Patent: WO2014/8295, 2014, A1,
[2] Patent: WO2014/198241, 2014, A1,
[3] Patent: CN105985295, 2016, A,
Same Skeleton Products
Historical Records