Home Cart 0 Sign in  

[ CAS No. 874-77-1 ] {[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| 874-77-1
Chemical Structure| 874-77-1
Structure of 874-77-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 874-77-1 ]

Related Doc. of [ 874-77-1 ]

Alternatived Products of [ 874-77-1 ]

Product Details of [ 874-77-1 ]

CAS No. :874-77-1 MDL No. :MFCD03840696
Formula : C7H13N3 Boiling Point : -
Linear Structure Formula :- InChI Key :XCUQQNRWWCWVOP-UHFFFAOYSA-N
M.W : 139.20 Pubchem ID :10582860
Synonyms :

Safety of [ 874-77-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P301+P310-P311 UN#:3439
Hazard Statements:H301+H311+H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 874-77-1 ]

* 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 [ 874-77-1 ]
  • Downstream synthetic route of [ 874-77-1 ]

[ 874-77-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 874-77-1 ]
  • [ 934-98-5 ]
YieldReaction ConditionsOperation in experiment
99% With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 1 h; 0086] Step 5. To a stirred suspension of lithium aluminum hydride (3.3 g, 87 mmol) in dry THF (100 mL), cooled to 0 °C, a solution of 2-(4-methylpiperazin-l-yl)acetonitrile (11.2 g, 80.4 mmol) in dry THF (300 mL) was slowly added. The mixture was stirred at room temperature for 1 h. The mixture was cooled in an ice bath, then H20 (3.3 mL) and a 20percent NaOH solution (3.3 mL) was added in sequence. After stirring for 20 min, the mixture was filtered and the solvent evaporated. The residue was dissolved in ethyl acetate and dried over anhydrous sodium sulfate. The solvent was evaporated to dryness to give 2-(4-methylpiperazin-l-yl)ethanamine (1.15 g, 99 percent) as an oil. 1H NMR (400 MHz, CDC13) δ: 2.21 (s, 3H), 2.20-2.60 (m, 10H), 2.71 (t, J = 6.0 Hz, 2H).
7% With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at 20℃; for 20 h; To an ice-cooled suspension of LiAlH4 (0.626 g, 16.50 mmol) in dry diethyl ether (18 mL) a solution of 23 (2.09 g, 15.00 mmol) in dry diethyl ether (27 mL) and THF (27 mL) was added dropwise. After 1 h, the ice-bath was removed and the reaction batch was stirred overnight at ambient temperature in an atmosphere of Ar. Subsequently the chemical reaction was quenched cautiously with 20percent aqueous NaOH and the mixture was stirred for 20 min. The solid was filtered off and the solvent was evaporated in vacuo giving 26 [0.150 g (7percent)] as a colourless oil. NMR data coincide with literature.
4.74%
Stage #1: With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at 0 - 20℃; for 24 h;
Stage #2: With sodium hydroxide In tetrahydrofuran; diethyl ether at 0℃; for 0.333333 h;
[000703] Step 2: 4 g of the product obtained in step 1 (0.028 moles) was dissolved in a 1:1 mixture of Tetrahydrofuran:Diethylether and was added drop wise to a suspension of lithium aluminium hydride (3.2 g) in diethylether (20 mL) at 0°C. [000704] The reaction was stirred at room temperature for 24 hours, cooled to 0°C and 10 mL of NaOH 6N was added and mixture stirred for 20 minutes. The solid was removed by filtration and filtrate was evaporated to give the title compound (208) in 4.74percent yield.
Reference: [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 15, p. 2870 - 2880
[2] Patent: WO2013/148365, 2013, A1, . Location in patent: Paragraph 0086
[3] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 7, p. 2251 - 2259
[4] Patent: WO2016/16728, 2016, A2, . Location in patent: Paragraph 000703; 000704
[5] Patent: WO2005/35532, 2005, A1, . Location in patent: Page/Page column 30
[6] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 12, p. 4509 - 4515
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 874-77-1 ]

Nitriles

Chemical Structure| 58619-56-0

[ 58619-56-0 ]

2-(Piperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 90206-22-7

[ 90206-22-7 ]

2-(4-Ethylpiperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 240143-46-8

[ 240143-46-8 ]

2-(4-Isopropylpiperazin-1-yl)acetonitrile

Similarity: 0.85

Chemical Structure| 58619-56-0

[ 58619-56-0 ]

2-(Piperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 90206-22-7

[ 90206-22-7 ]

2-(4-Ethylpiperazin-1-yl)acetonitrile

Similarity: 1.00

Related Parent Nucleus of
[ 874-77-1 ]

Piperazines

Chemical Structure| 58619-56-0

[ 58619-56-0 ]

2-(Piperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 90206-22-7

[ 90206-22-7 ]

2-(4-Ethylpiperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 240143-46-8

[ 240143-46-8 ]

2-(4-Isopropylpiperazin-1-yl)acetonitrile

Similarity: 0.85

Chemical Structure| 58619-56-0

[ 58619-56-0 ]

2-(Piperazin-1-yl)acetonitrile

Similarity: 1.00

Chemical Structure| 90206-22-7

[ 90206-22-7 ]

2-(4-Ethylpiperazin-1-yl)acetonitrile

Similarity: 1.00