Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

Base Information

Chemical Name:Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate
CAS No.:171050-01-4
Molecular Formula:C₁₃H₁₈FNO₂
Molecular Weight:239.29
Hs Code.:
DSSTox Substance ID:DTXSID601191925
Mol file:171050-01-4.mol

Synonyms:171050-01-4;Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate;SCHEMBL4022762;DAQVUZYHQPEMQJ-UHFFFAOYSA-N;DTXSID601191925;FT-0705979;1,1-Dimethylethyl 4-fluoro-3-[(methylamino)methyl]benzoate

Suppliers and Price of Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

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
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price

Total 1 raw suppliers

Chemical Property of Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:239.13215698
Heavy Atom Count:17
Complexity:263

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CNC

Technology Process of Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

There total 7 articles about Tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate 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: 59.0%

: 171050-00-3
4-fluoro-3-methylbenzoic acid tert-butyl ester

: 74-89-5
methylamine

: 171050-01-4
tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

Guidance literature:: With N-Bromosuccinimide; dibenzoyl peroxide; In tetrahydrofuran; methanol; tetrachloromethane; chloroform; ethyl acetate;

Reference yield: 43.0%

: 618-32-6
Benzoyl bromide

: 171050-01-4
tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

Guidance literature:: With methylamine; In tetrahydrofuran; methanol; chloroform; water; ethyl acetate;

Reference yield:

: 82297-89-0
(4-fluoro-3-methyl)phenylmagnesium bromide

: 171050-01-4
tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 94 percent / tetrahydrofuran / 4.25 h / -78 - 20 °C

2.1: NBS; benzoyl peroxide / CCl₄ / 24 h / Heating; irradiation

2.2: 43 percent / tetrahydrofuran; H₂O / 18 h / 20 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;
DOI:10.1021/jm020050+