2-(1-Pyrrolyl)benzylamine

Base Information

• Chemical Name: 2-(1-Pyrrolyl)benzylamine
• CAS No.: 39243-88-4
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• Hs Code.: 2933990090
• European Community (EC) Number: 674-330-4
• DSSTox Substance ID: DTXSID20959925
• Nikkaji Number: J1.178.318J
• Wikidata: Q82940887
• Mol file: 39243-88-4.mol

Synonyms:2-(1-Pyrrolyl)benzylamine;39243-88-4;(2-(1H-pyrrol-1-yl)phenyl)methanamine;(2-pyrrol-1-ylphenyl)methanamine;39116-24-0;1-[2-(1h-pyrrol-1-yl)phenyl]methanamine;Benzenemethanamine,2-(1H-pyrrol-1-yl)-;2-(1h-pyrrol-1-yl)benzylamine;[2-(1h-pyrrol-1-yl)phenyl]methanamine;2-Benzoxazoleacetaldehyde, a-(hydroxymethylene)-;[2-(1h-pyrrol-1-yl)phenyl]methylamine;2-Pyrrol-1-yl-benzylamine;1-[2-(Aminomethyl)phenyl]-1H-pyrrole;2-pyrrol-1-ylbenzylamine;ChemDiv2_002194;2-(pyrrol-1-yl)benzylamine;1-(2-aminomethylphenyl)pyrrole;SCHEMBL1021417;DTXSID20959925;HMS1375D16;MFCD03763920;STK679579;AKOS001739816;MS-3218;SB62188;2-(1-pyrrolyl)benzylamine, AldrichCPR;CS-0206084;FT-0677332;A918696;J-500509

Chemical Property of 2-(1-Pyrrolyl)benzylamine

Chemical Property:

• Vapor Pressure: 0.000391mmHg at 25°C
• Melting Point: 156 °C
• Refractive Index: 1.589
• Boiling Point: 317.2 °C at 760 mmHg
• PKA: 8.36±0.10(Predicted)
• Flash Point: 145.6 °C
• PSA: 30.95000
• Density: 1.07 g/cm³
• LogP: 2.63630
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

2-(1-Pyrrolyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN)N2C=CC=C2

Technology Process of 2-(1-Pyrrolyl)benzylamine

There total 3 articles about 2-(1-Pyrrolyl)benzylamine 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: 97.0%

1-(2-isocyanophenyl)-1H-pyrrole (33265-71-3) → 2-(1-pyrrolyl)benzylamine (39243-88-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1002/jhet.5570210623

Reference yield:

anthranilic acid nitrile (1885-29-6) → 2-(1-pyrrolyl)benzylamine (39243-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / 0.5 h / Heating

2: LiAlH₄ / tetrahydrofuran / 18 h / 20 °C

With lithium aluminium tetrahydride; acetic acid; In tetrahydrofuran; 1: Hantzsch pyrrole synthesis;

DOI:10.1016/j.bmcl.2005.05.007

Reference yield:

→ 2-(1-pyrrolyl)benzylamine (39243-88-4)

Guidance literature:

1-(2-Cyanophenyl)-pyrrol, LiAlH4;

upstream raw materials:

1-(2-isocyanophenyl)-1H-pyrrole

anthranilic acid nitrile

Downstream raw materials:

N-Ethyl-N¹-<<2-(1-pyrrolidinyl)phenyl>methyl>isothiourea

4-methyl-1-<2-(1-pyrryl)phenylmethyl>piperazine-2,6-dione

N-<<2-(1-Pyrrolidinyl)phenyl>methyl>urea

(4,5-dihydro-1H-imidazol-2-yl)(2-pyrrol-1-ylbenzyl)amine

Refernces

• 1、 Meerpoel, Lieven,Van Gestel, Jef,Van Gerven, Frans,Woestenborghs, Filip,Marichal, Patrick,Sipido, Vic,Terence, Gilkerson,Nash, Roger,Corens, David,Richards, Ray D.. "Pyrrolo[1,2-a][1,4]benzodiazepine: A novel class of non-azole anti-dermatophyte anti-fungal agents". . p. 3453 - 3458. Retrieved 2007/10/03.