N-(4-chlorobenzyl)prop-2-en-1-amine

Base Information

• Chemical Name: N-(4-chlorobenzyl)prop-2-en-1-amine
• CAS No.: 69957-80-8
• Molecular Formula: C10H12ClN
• Molecular Weight: 181.665
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00405915
• Nikkaji Number: J1.082.030H
• Wikidata: Q82210674
• Mol file: 69957-80-8.mol

Synonyms:69957-80-8;N-(4-chlorobenzyl)prop-2-en-1-amine;N-(4-CHLOROBENZYL)-2-PROPEN-1-AMINE;N-[(4-chlorophenyl)methyl]prop-2-en-1-amine;[(4-chlorophenyl)methyl](prop-2-en-1-yl)amine;CHEMBRDG-BB 9071055;Allyl(4-chlorobenzyl)amine;SCHEMBL6560123;DTXSID00405915;N-allyl-N-(4-chlorobenzyl)amine;MXLWFBBJEPONGS-UHFFFAOYSA-N;MFCD07406232;STK281163;AKOS000224159;NCGC00326588-01;AB01322024-02;EN300-1725156;AN-465/42767548

Chemical Property of N-(4-chlorobenzyl)prop-2-en-1-amine

Chemical Property:

• Vapor Pressure: 0.0202mmHg at 25°C
• Boiling Point: 251.7°C at 760 mmHg
• Flash Point: 106°C
• PSA: 12.03000
• Density: 1.061g/cm³
• LogP: 3.00650
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

98% ^*data from raw suppliers

N-(4-CHLOROBENZYL)-2-PROPEN-1-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCNCC1=CC=C(C=C1)Cl

Technology Process of N-(4-chlorobenzyl)prop-2-en-1-amine

There total 9 articles about N-(4-chlorobenzyl)prop-2-en-1-amine 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: 95.0%

2-(bromomethyl)-1-<(4-chlorophenyl)methyl>aziridine (156697-68-6) → N-(4-chlorobenzyl)prop-2-en-1-amine (69957-80-8)

Guidance literature:

With methanol; magnesium; at -23 ℃; for 2h;

DOI:10.1021/jo9806963

Reference yield: 92.0%

N-allyl-1-(4-chlorophenyl)methanimine (131480-14-3) → N-(4-chlorobenzyl)prop-2-en-1-amine (69957-80-8)

Guidance literature:

N-allyl-1-(4-chlorophenyl)methanimine; With C₂₁H₃₉NPPd^(1-)*C₂F₃O₂^(1-); phenylsilane; In chloroform-d1; at 40 ℃; for 12h; Glovebox; Sealed tube;

With water; In chloroform-d1; regioselective reaction; Sealed tube; Glovebox;

DOI:10.1039/c5cy01859e

Reference yield: 86.0%

4-chlorobenzaldehyde (104-88-1) + 1-amino-2-propene (107-11-9,30551-89-4) → N-(4-chlorobenzyl)prop-2-en-1-amine (69957-80-8)

Guidance literature:

4-chlorobenzaldehyde; 1-amino-2-propene; In methanol; for 2h; Cooling with ice;

With sodium tetrahydroborate; In methanol; for 2.08333h;

upstream raw materials:

2-(bromomethyl)-1-<(4-chlorophenyl)methyl>aziridine

phenyllithium

4-chlorobenzaldehyde

N-allyl-1-(4-chlorophenyl)methanimine

Downstream raw materials:

C₁₁H₁₁Cl₂NO

3-(4-chlorobenzyl)-5-(iodomethyl)thiazolidine-2-thione

4-[allyl-(4-chloro-benzyl)-carbamoyl]-pent-4-enoic acid methyl ester

3-(4-Chloro-benzyl)-5-iodomethyl-oxazolidin-2-one