N-Allylcyclopentylamine

Base Information

• Chemical Name: N-Allylcyclopentylamine
• CAS No.: 55611-39-7
• Molecular Formula: C8H15N
• Molecular Weight: 125.214
• Hs Code.: 2921300090
• European Community (EC) Number: 625-566-1
• DSSTox Substance ID: DTXSID60407930
• Nikkaji Number: J699.168H
• Wikidata: Q82213276
• ChEMBL ID: CHEMBL3558345
• Mol file: 55611-39-7.mol

Synonyms:55611-39-7;N-Allylcyclopentylamine;N-allyl-N-cyclopentylamine;N-Allylcyclopentanamine;N-prop-2-enylcyclopentanamine;N-(prop-2-en-1-yl)cyclopentanamine;allylcyclopentylamine;allyl(cyclopentyl)amine;SCHEMBL818299;N-Allylcyclopentylamine, 97%;CHEMBL3558345;DTXSID60407930;CTSIKBGUCQWRIM-UHFFFAOYSA-N;MFCD00075590;STK503771;AKOS000224633;SB74343;BS-42306;FT-0679199;EN300-57364;AB01003950-01

Chemical Property of N-Allylcyclopentylamine

Chemical Property:

• Vapor Pressure: 2.75mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 155-160 °C(lit.)
• Flash Point: 113 °F
• PSA: 12.03000
• Density: 0.855 g/mL at 25 °C(lit.)
• LogP: 2.09550
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Allyl-N-cyclopentylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1CCCC1
• Uses: N-Allylcyclopentylamine may be used in the preparation of N,N-cyclopentylallylurea.

Technology Process of N-Allylcyclopentylamine

There total 6 articles about N-Allylcyclopentylamine 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: 87.0%

N-Allylcyclopentylideneamine (30533-03-0) → n-allylcyclopentylamine (55611-39-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Ambient temperature;

DOI:10.1021/jo00028a016

Reference yield: 58.0%

cyclopentanone (120-92-3) + 1-amino-2-propene (107-11-9,30551-89-4) → n-allylcyclopentylamine (55611-39-7)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c7ob02569f

Reference yield:

Cyclopentane (287-92-3) + 1-amino-2-propene (107-11-9,30551-89-4) → Cyclopentanol (96-41-3) + n-allylcyclopentylamine (55611-39-7) + cyclopentanone (120-92-3)

Guidance literature:

Cyclopentane; With cytochrome P₄₅₀ monooxygenase; formate dehydrogenase from Candida boidinii; sodium formate; NADH; In aq. buffer; at 20 ℃; for 24h; pH=8; Enzymatic reaction;

1-amino-2-propene; With alcohol dehydrogenase from thermoanaerobacter ethanolicus; reductive aminase from Aspergillus oryzae; In aq. buffer; at 30 ℃; Enzymatic reaction;

DOI:10.1039/c7ob02569f

upstream raw materials:

N-Allylcyclopentylideneamine

Cyclopentamine

cyclopentanone

1-amino-2-propene

Downstream raw materials:

N-allyl-N-cyclopentyl-2-iodobenzamide

propene

cyclopentanimine