Benzenemethanamine, N-butyl-3-fluoro-

Base Information

Chemical Name:Benzenemethanamine, N-butyl-3-fluoro-
CAS No.:60509-34-4
Molecular Formula:C11H16FN
Molecular Weight:181.253
Hs Code.:2921499090
DSSTox Substance ID:DTXSID20209250
Nikkaji Number:J1.867.618D
Wikidata:Q83083468
ChEMBL ID:CHEMBL1178173
Mol file:60509-34-4.mol

Synonyms:60509-34-4;Benzenemethanamine, N-butyl-3-fluoro-;N-(3-Fluorobenzyl)butan-1-amine;N-[(3-fluorophenyl)methyl]butan-1-amine;BUTYL[(3-FLUOROPHENYL)METHYL]AMINE;N-(3-FLUOROPHENYLMETHYL)BUTYLAMINE;N-n-Butyl-3-fluorobenzylamine;CHEMBL1178173;DTXSID20209250;MFCD09998937;AKOS000235065;3-[(Butylamino)methyl]-1-fluorobenzene;EN300-32760;C78338

Suppliers and Price of Benzenemethanamine, N-butyl-3-fluoro-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
N-(3-FLUOROPHENYLMETHYL)BUTYLAMINE 95.00%
5MG
$ 500.50

Acrotein
N-(3-Fluorobenzyl)butan-1-amine 97%
5g
$ 256.67

Total 11 raw suppliers

Chemical Property of Benzenemethanamine, N-butyl-3-fluoro-

Chemical Property:

Vapor Pressure:0.0614mmHg at 25°C
Boiling Point:231.7°C at 760 mmHg
Flash Point:93.9°C
PSA：12.03000
Density:0.98g/cm³
LogP:3.10630
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:181.126677677
Heavy Atom Count:13
Complexity:127

Purity/Quality:

99.90% ^*data from raw suppliers

N-(3-FLUOROPHENYLMETHYL)BUTYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCNCC1=CC(=CC=C1)F

Technology Process of Benzenemethanamine, N-butyl-3-fluoro-

There total 1 articles about Benzenemethanamine, N-butyl-3-fluoro- 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:

: 109-73-9,85404-21-3
N-butylamine

: 456-48-4
3-Fluorobenzaldehyde

: 60509-34-4
N-(3-fluorobenzyl)butylamine

: butyl-bis-(3-fluoro-benzyl)-amine

Guidance literature:: With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃;
DOI:10.1021/ol0269401

Reference yield: 65.0%

: 38846-64-9
2-ethynylbenzaldehyde

: 60509-34-4
N-(3-fluorobenzyl)butylamine

: 121-45-9
phosphorous acid trimethyl ester

: dimethyl (2-ethynylphenyl)[(butyl)(3-fluorobenzyl)amino]methylphosphonate

Guidance literature:: 2-ethynylbenzaldehyde; N-(3-fluorobenzyl)butylamine; With lithium perchlorate; In diethyl ether; for 0.333333h;

phosphorous acid trimethyl ester; In diethyl ether; for 0.5h;
DOI:10.1021/ol062817o

Reference yield:

: 60509-34-4
N-(3-fluorobenzyl)butylamine

: {2-butyl-3-[2-(3-fluoro-phenyl)-ethyl]-2H-isoindol-1-yl}-phosphonic acid dimethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: LiClO₄ / diethyl ether / 0.33 h

1.2: 65 percent / diethyl ether / 0.5 h

2.1: acetonitrile; benzene / microwave irradiation

With lithium perchlorate; In diethyl ether; acetonitrile; benzene;
DOI:10.1021/ol062817o