Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate

Base Information

Chemical Name:Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate
CAS No.:492444-09-4
Molecular Formula:C12H14FNO4
Molecular Weight:255.24200
Hs Code.:
DSSTox Substance ID:DTXSID60591904
Wikidata:Q82485770
Mol file:492444-09-4.mol

Synonyms:492444-09-4;TERT-BUTYL (5-FLUORO-1,3-BENZODIOXOL-4-YL)CARBAMATE;SCHEMBL4481762;DTXSID60591904;DB-266777;tert-Butyl(5-fluoro-1,3-benzodioxol-4-yl)carbamate;tert-Butyl (5-fluoro-2H-1,3-benzodioxol-4-yl)carbamate

Suppliers and Price of Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate

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
TERT-BUTYL-(5-FLUORO-1,3-BENZODIOXOL-4-YL)CARBAMATE 95.00%
5MG
$ 497.04

Total 3 raw suppliers

Chemical Property of Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate

Chemical Property:

PSA：56.79000
LogP:2.97440
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:255.09068609
Heavy Atom Count:18
Complexity:318

Purity/Quality:

97% ^*data from raw suppliers

TERT-BUTYL-(5-FLUORO-1,3-BENZODIOXOL-4-YL)CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1=C(C=CC2=C1OCO2)F

Technology Process of Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate

There total 8 articles about Tert-butyl (5-fluoro-1,3-benzodioxol-4-YL)carbamate 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: 100.0%

: 75-65-0
tert-butyl alcohol

: 492444-08-3
5-fluoro-1,3-benzodioxole-4-carboxylic acid

: 492444-09-4
tert-butyl (5-fluoro-1,3-benzodioxol-4-yl)carbamate

Guidance literature:: With diphenyl phosphoryl azide; triethylamine; In 1,4-dioxane; at 20 - 100 ℃; for 4.5h;

Reference yield:

: 398-62-9
4-fluoroveratrole

: 492444-09-4
tert-butyl (5-fluoro-1,3-benzodioxol-4-yl)carbamate

Guidance literature:: Multi-step reaction with 6 steps

1.1: LDA / tetrahydrofuran; hexane / 1 h / -60 °C

1.2: 64 percent / tetrahydrofuran; hexane / 0.5 h / -60 °C

2.1: 100 percent / HBr; AcOH / H₂O / 1 h / Heating

3.1: 60 percent / SOCl₂ / 18 h / 70 °C

4.1: 80 percent / Cs₂CO₃ / dimethylformamide / 1.5 h / 110 °C

5.1: 97 percent / KOH / methanol; H₂O / 3 h / 20 °C

6.1: 93 percent / diphenoxyphosphoryl azide; Et₃N / dioxane / 4.5 h / 100 °C

With potassium hydroxide; thionyl chloride; diphenyl phosphoryl azide; hydrogen bromide; caesium carbonate; acetic acid; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; methanol; hexane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm030317k

Reference yield:

: 265670-72-2
6-fluoro-2,3-dimethoxybenzoic acid

: 492444-09-4
tert-butyl (5-fluoro-1,3-benzodioxol-4-yl)carbamate

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / HBr; AcOH / H₂O / 1 h / Heating

2: 60 percent / SOCl₂ / 18 h / 70 °C

3: 80 percent / Cs₂CO₃ / dimethylformamide / 1.5 h / 110 °C

4: 97 percent / KOH / methanol; H₂O / 3 h / 20 °C

5: 93 percent / diphenoxyphosphoryl azide; Et₃N / dioxane / 4.5 h / 100 °C

With potassium hydroxide; thionyl chloride; diphenyl phosphoryl azide; hydrogen bromide; caesium carbonate; acetic acid; triethylamine; In 1,4-dioxane; methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm030317k