2-Amino-1-cyclopentene-1-carbonitrile

Base Information

• Chemical Name: 2-Amino-1-cyclopentene-1-carbonitrile
• CAS No.: 2941-23-3
• Molecular Formula: C6H8N2
• Molecular Weight: 108.143
• Hs Code.: 2926909090
• European Community (EC) Number: 917-554-2,608-358-5
• NSC Number: 146852
• UNII: U54887V9PJ
• DSSTox Substance ID: DTXSID70301874
• Nikkaji Number: J510.715F
• Wikidata: Q27290709
• ChEMBL ID: CHEMBL1871966
• Mol file: 2941-23-3.mol

Synonyms:2941-23-3;2-Amino-1-cyclopentene-1-carbonitrile;2-aminocyclopent-1-enecarbonitrile;2-aminocyclopent-1-ene-1-carbonitrile;1-Amino-2-cyano-1-cyclopentene;2-aminocyclopentene-1-carbonitrile;1-Cyclopentene-1-carbonitrile, 2-amino-;UNII-U54887V9PJ;U54887V9PJ;MFCD00517551;EC 917-554-2;1-Amino-2-cyano-1,2-cyclopentene;NSC146852;SCHEMBL971225;CHEMBL1871966;DTXSID70301874;2-Amino-Cyclopent-1-Enecarnonitrile;STK298721;2-AMINOCYCLOPENTENECARBONITRILE;AKOS000270492;AKOS025243394;AC-5607;AM84899;CS-W002642;NSC 146852;NSC-146852;NCGC00186301-01;NCGC00186301-02;NCGC00186301-03;NCGC00186301-04;NCGC00186301-05;AS-11481;SY017257;LS-191416;BB 0219077;FT-0611008;EN300-26208;AB00983130-01;J-508037;Q27290709;F2130-0049;Z221425808;Methyl[[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate

Chemical Property of 2-Amino-1-cyclopentene-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000302mmHg at 25°C
• Melting Point: 147-148℃
• Refractive Index: 1.529
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 6.70±0.20(Predicted)
• Flash Point: 148.1 °C
• PSA: 49.81000
• Density: 1.08 g/cm³
• LogP: 1.60698
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-1-cyclopentene-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C(C1)N)C#N
• Uses: 2-Amino-1-cyclopentene-1-carbonitrile s an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. 2-Amino-1-cyclopentene-1-carbonitrile is a reagent used in the synthesis of tacrine-huperzine A hybrids as acetylcholinesterase inhibitors.

Technology Process of 2-Amino-1-cyclopentene-1-carbonitrile

There total 9 articles about 2-Amino-1-cyclopentene-1-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

hexanedinitrile (111-69-3) → 2-amino-1-cyanocyclopentene (2941-23-3)

Guidance literature:

With potassium tert-butylate; In toluene; at 65 - 80 ℃; for 8h; Inert atmosphere;

Reference yield: 84.0%

→ 1,3,6-hexanetricarbonitrile (1772-25-4) + 2-amino-1-cyanocyclopentene (2941-23-3)

Guidance literature:

Reference yield:

hexanedinitrile (111-69-3) + 1-amino-5-cyanopentane (2432-74-8) + 2-amino-1-cyanocyclopentene (2941-23-3)

Guidance literature:

With ammonia; hydrogen; iron catalyst, based on magnetite ore and prepared according to Example 2 (a) of DE 19636767; at 30 - 340 ℃; for 1524h; Conversion of starting material; Compressed gas(es);

upstream raw materials:

hexanedinitrile

adipamide

1-carbethoxy-1-cyanocyclopropane

Downstream raw materials:

2-(3,4,5-trimethoxy-benzoylamino)-cyclopent-1-enecarbonitrile

N-(2-cyano-cyclopent-1-enyl)-benzamide

4-amino-6,7-dihydro-5H-cyclopenta[1,2-d]pyrimidine

trans-2-aminomethyl-cyclopentylamine