4-Pyrrolidin-1-ylmethyl-benzylamine

Base Information

• Chemical Name: 4-Pyrrolidin-1-ylmethyl-benzylamine
• CAS No.: 91271-79-3
• Molecular Formula: C12H18 N2
• Molecular Weight: 190.288
• Hs Code.: 2933998090
• European Community (EC) Number: 812-712-6
• DSSTox Substance ID: DTXSID90407180
• Wikidata: Q82212421
• Mol file: 91271-79-3.mol

Synonyms:91271-79-3;4-Pyrrolidin-1-ylmethyl-benzylamine;4-(Pyrrolidin-1-ylmethyl)benzylamine;[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine;1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine;(4-(Pyrrolidin-1-ylmethyl)phenyl)methanamine;SCHEMBL111330;DTXSID90407180;XSJFYCYUKSAOIY-UHFFFAOYSA-N;HMS1704G22;MFCD07329913;AKOS000264570;4-(Pyrrolidin-1-ylmethyl)-benzylamine;SB39851;BS-38567;BB 0257246;CS-0234391;FT-0706200;EN300-14141;{4-[(pyrrolidin-1-yl)methyl]phenyl}methanamine;1-{4-[(pyrrolidin-1-yl)methyl]phenyl}methanamine;4-(pyrrolidin-1-ylmethyl)benzylamine, AldrichCPR;BENZENEMETHANAMINE,4-(1-PYRROLIDINYLMETHYL)-;(R)-2-(3-(methoxycarbonyl)pyrrolidin-1-yl)acetic?acid

Chemical Property of 4-Pyrrolidin-1-ylmethyl-benzylamine

Chemical Property:

• Vapor Pressure: 0.00144mmHg at 25°C
• Boiling Point: 296.4°Cat760mmHg
• PKA: 9.80±0.20(Predicted)
• Flash Point: 120.8°C
• PSA: 29.26000
• Density: 1.068g/cm³
• LogP: 2.37930
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2=CC=C(C=C2)CN

Technology Process of 4-Pyrrolidin-1-ylmethyl-benzylamine

There total 3 articles about 4-Pyrrolidin-1-ylmethyl-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: 98.7%

→ N-((4-(pyrrolidin-1-ylmethyl)phenyl)methyl)amine (91271-79-3)

Guidance literature:

Reference yield: 86.0%

4-(pyrrolidin-1-ylmethyl)benzonitrile (78064-96-7) → N-((4-(pyrrolidin-1-ylmethyl)phenyl)methyl)amine (91271-79-3)

Guidance literature:

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In ethanol; at 25 ℃; for 12h;

DOI:10.1021/jm300831b

Reference yield:

4-cyanobenzaldehyde (105-07-7) → N-((4-(pyrrolidin-1-ylmethyl)phenyl)methyl)amine (91271-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2-picoline borane complex; acetic acid / neat (no solvent) / 3 h / 25 °C

2: nickel(II) chloride hexahydrate; sodium tetrahydroborate / ethanol / 12 h / 25 °C

With sodium tetrahydroborate; 2-picoline borane complex; nickel(II) chloride hexahydrate; acetic acid; In ethanol;

DOI:10.1021/jm300831b

upstream raw materials:

4-(pyrrolidin-1-ylmethyl)benzonitrile

4-cyanobenzaldehyde

Downstream raw materials:

N-(4-(pyrrolidin-1-ylmethyl)benzyl)-2-amino-4-nitrobenzamide

7-nitro-3-(4-(pyrrolidin-1-ylmethyl)benzyl)quinazolin-4(3H)-one

C₂₉H₂₆ClN₅O

7-amino-3-(4-(pyrrolidin-1-ylmethyl)benzyl)quinazolin-4(3H)-one

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