1-Boc-5-fluoroindole-2-boronic acid

Base Information

Chemical Name:1-Boc-5-fluoroindole-2-boronic acid
CAS No.:352359-23-0
Molecular Formula:C13H15BFNO4
Molecular Weight:279.076
Hs Code.:2933990090
European Community (EC) Number:672-923-2
DSSTox Substance ID:DTXSID40376877
Nikkaji Number:J1.814.453K
Wikidata:Q72449265
Mol file:352359-23-0.mol

Synonyms:352359-23-0;1-Boc-5-fluoroindole-2-boronic acid;1-boc-5-fluoro-1h-indole-2-boronic acid;(1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl)boronic acid;N-(BOC)-5-fluoroindole-2-boronic acid;[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid;5-fluoroindole-2-boronic acid, n-boc protected;N-Boc-5-fluoroindole-2-boronic acid;MFCD04114581;5-fluoro-1-tert-butoxycarbonylindole-2-boronic acid;1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-ylboronic acid;SCHEMBL594560;DTXSID40376877;TZHYEXHDCFQZGG-UHFFFAOYSA-N;BCP27563;AKOS015841420;AB18601;N-Boc-5-fluoro-indole-2-boronic acid;1h-indole-1-carboxylic acid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester;N-Boc-5-fluoro-indol-2-yl boronic acid;AS-48278;SY023465;CS-0002266;FT-0644489;F30152;1-Boc-5-fluoroindole-2-boronic acid, AldrichCPR;J-503651;n-tert-butoxycarbonyl-5-fluoro-1h-indole-2-boronic acid;[5-Fluoro-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid;1-Boc-5-fluoroindole-2-boronic Acid

Suppliers and Price of 1-Boc-5-fluoroindole-2-boronic acid

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

Usbiological
1-Boc-5-fluoro-1H-indole-2-boronic acid
500mg
$ 355.00

TRC
1-BOC-5-fluoroindole-2-boronicacid
500mg
$ 110.00

TRC
1-BOC-5-fluoroindole-2-boronicacid
100mg
$ 45.00

Synthonix
N-(BOC)-5-fluoroindole-2-boronicacid 95%
5g
$ 240.00

Synthonix
N-(BOC)-5-fluoroindole-2-boronicacid 95%
1g
$ 70.00

SynQuest Laboratories
5-Fluoroindole-2-boronic acid, N-Boc protected 95%
1 g
$ 130.00

SynQuest Laboratories
5-Fluoroindole-2-boronic acid, N-Boc protected 95%
250 mg
$ 45.00

Matrix Scientific
N-(Boc)-5-fluoroindole-2-boronic acid 95%
1g
$ 94.00

J&W Pharmlab
1-Boc-5-fluoro-1H-indole-2-boronicacid 97%
5g
$ 960.00

Crysdot
(1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl)boronicacid 95+%
5g
$ 416.00

Total 35 raw suppliers

Chemical Property of 1-Boc-5-fluoroindole-2-boronic acid

Chemical Property:

Vapor Pressure:9.36E-09mmHg at 25°C
Melting Point:130-140 °C
Refractive Index:1.534
Boiling Point:446.5 °C at 760 mmHg
PKA:7.79±0.30(Predicted)
Flash Point:223.8 °C
PSA：71.69000
Density:1.24g/cm³
LogP:1.24340
Storage Temp.:Keep Cold
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:279.1078163
Heavy Atom Count:20
Complexity:374

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-5-fluoro-1H-indole-2-boronic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)F)(O)O

Technology Process of 1-Boc-5-fluoroindole-2-boronic acid

There total 4 articles about 1-Boc-5-fluoroindole-2-boronic acid 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: 98.0%

: 129822-47-5
tert‐butyl 5‐fluoroindole‐1‐carboxylate

: 352359-23-0
[1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid

Guidance literature:: tert‐butyl 5‐fluoroindole‐1‐carboxylate; With Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; at 0 ℃; for 2h;

With phosphate buffer; In tetrahydrofuran; pH=6.0; Further stages.;
DOI:10.1021/jo070206j

Reference yield: 84.5%

: 121-43-7,63156-11-6
Trimethyl borate

: 129822-47-5
tert‐butyl 5‐fluoroindole‐1‐carboxylate

: 352359-23-0
[1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid

Guidance literature:: tert‐butyl 5‐fluoroindole‐1‐carboxylate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; at -78 ℃; for 0.666667h; Inert atmosphere;

Reference yield:

: 399-52-0
5-fluoro-1H-indole

: 352359-23-0
[1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 1 h / 20 °C

2.1: triisopropyl borate; LDA / tetrahydrofuran / 2 h / 0 °C

2.2: 98 percent / aq. phosphate buffer / tetrahydrofuran / pH 6.0

With dmap; Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo070206j