Tert-butyl 4-amino-2-fluorobenzoate

Base Information

• Chemical Name: Tert-butyl 4-amino-2-fluorobenzoate
• CAS No.: 140373-77-9
• Molecular Formula: C11H14FNO2
• Molecular Weight: 211.236
• Hs Code.: 2922499990
• European Community (EC) Number: 809-149-3
• DSSTox Substance ID: DTXSID90434890
• Mol file: 140373-77-9.mol

Synonyms:TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE;140373-77-9;4-AMINO-2-FLUORO-BENZOIC ACID TERT-BUTYL ESTER;Tert-butyl4-amino-2-fluorobenzoate;MFCD06658385;4-Amino-2-fluorobenzoic acid tert-butyl ester;Tert-butyl 4-amino-2-fluoro-benzoate;SCHEMBL355847;DTXSID90434890;FCCRKNYAZJHMME-UHFFFAOYSA-N;AB1275;tert-Butyl-2-fluoro-4-aminobenzoate;AKOS005257301;SB33341;BS-42504;4-amino-2-fluoro-benzoic acid t-butyl ester;FT-0600090;tert-butyl 2-fluoro-4-aminophenylcarboxylate;EN300-265407;Benzoic acid,4-amino-2-fluoro-,1,1-dimethylethyl ester;F2167-3925;4-Amino-2-fluoro-benzoic acid tert-butyl ester, AldrichCPR

Chemical Property of Tert-butyl 4-amino-2-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 325.561 °C at 760 mmHg
• Flash Point: 150.694 °C
• PSA: 52.32000
• Density: 1.152 g/cm³
• LogP: 2.94440
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 211.10085685
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl4-Amino-2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-amino-2-fluorobenzoate

There total 6 articles about Tert-butyl 4-amino-2-fluorobenzoate 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: 99.0%

tert-butyl 2-fluoro-4-nitrobenzoate (157665-46-8) → tert-butyl 2-fluoro-4-aminobenzoate (140373-77-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 30 ℃; for 20h; under 22501.8 Torr;

DOI:10.1021/jm00006a019

Reference yield: 98.0%

iron (7439-89-6) + tert-butyl 2-fluoro-4-nitrobenzoate (157665-46-8) → tert-butyl 2-fluoro-4-aminobenzoate (140373-77-9)

Guidance literature:

With ammonium chloride; In ethanol; water;

Reference yield:

2-fluoro-4-nitrobenzoic acid (403-24-7) → tert-butyl 2-fluoro-4-aminobenzoate (140373-77-9)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / CH₂Cl₂

2: tetrahydrofuran

3: Fe; aq. NH₄Cl

With thionyl chloride; iron; ammonium chloride; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2003.07.021

upstream raw materials:

tert-butyl 2-fluoro-4-nitrobenzoate

2-fluoro-4-nitrotoluene

2-fluoro-4-nitrobenzoic acid

2-fluoro-4-nitrobenzoyl chloride

Downstream raw materials:

tert-butyl 2-fluoro-4-benzoate

tert-butyl 2-fluoro-4-(prop-2-ynylamino)benzoate

tert-butyl 4--6-quinazolinyl>methyl>amino>-2-fluorobenzoate

(5-chloro-2-fluoro-4-(4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)phenyl)(morpholino)methanone

Refernces

• 1、 -. "Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders". Paragraph 0657-0660. . Retrieved 2016/05/02.
• 2、 -. "HETEROCYCLIC COMPOUND". Paragraph 0537; 0703. . Retrieved 2015/03/03.