(1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid

Base Information

Chemical Name:(1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid
CAS No.:475102-11-5
Molecular Formula:C13H15BClNO4
Molecular Weight:295.53
Hs Code.:2933299090
DSSTox Substance ID:DTXSID10452758
Nikkaji Number:J1.814.449B
Wikidata:Q72448881
Mol file:475102-11-5.mol

Synonyms:475102-11-5;4-Chloro-N-(Boc)-indole-2-boronic acid;(1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid;1-BOC-4-CHLORO-1H-INDOLE-2-BORONIC ACID;N-Boc-4-Chloro-2-indolylboronic acid;1-BOC-4-chloroindole-2-boronic acid;[4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid;1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-ylboronic acid;4-Chloroindole-2-boronic acid, N-BOC protected;1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl-2-boronic acid;[1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid;SCHEMBL599783;DTXSID10452758;HUWASNXIUPJIJH-UHFFFAOYSA-N;MFCD04114582;AKOS015841421;AB18603;PS-9611;CS-0002265;FT-0644716;A15584;J-515166;4-chloro-N-(Boc)-indole-2-boronic acid, AldrichCPR;[4-Chloro-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid;{1-[(tert-butoxy)carbonyl]-4-chloro-1H-indol-2-yl}boronic acid;N-BOC-4-CHLORO-2-INDOLYLBORONIC ACID

Suppliers and Price of (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)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

TRC
1-BOC-4-chloroindole-2-boronicacid
1g
$ 75.00

Synthonix
4-Chloro-N-(BOC)-indole-2-boronic acid 98%
5g
$ 125.00

Synthonix
4-Chloro-N-(BOC)-indole-2-boronic acid 98%
1g
$ 25.00

SynQuest Laboratories
4-Chloroindole-2-boronic acid, N-Boc protected 98%
1 g
$ 47.00

SynQuest Laboratories
4-Chloroindole-2-boronic acid, N-Boc protected 98%
5 g
$ 188.00

Sigma-Aldrich
4-Chloro-N-(BOC)-indole-2-boronic acid
1g
$ 140.00

Matrix Scientific
4-Chloro-N-(Boc)-indole-2-boronic acid 98%
25g
$ 1277.00

Matrix Scientific
4-Chloro-N-(Boc)-indole-2-boronic acid 98%
5g
$ 429.00

Matrix Scientific
4-Chloro-N-(Boc)-indole-2-boronic acid 98%
1g
$ 171.00

J&W Pharmlab
1-Boc-4-chloro-1H-indole-2-boronicacid 97%
250mg
$ 149.00

Total 37 raw suppliers

Chemical Property of (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:107-110 °C
Refractive Index:1.56
Boiling Point:471.366 °C at 760 mmHg
PKA:7.72±0.30(Predicted)
Flash Point:238.874 °C
PSA：71.69000
Density:1.279 g/cm³
LogP:1.75770
Storage Temp.:Keep Cold
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:295.0782658
Heavy Atom Count:20
Complexity:374

Purity/Quality:

97% ^*data from raw suppliers

1-BOC-4-chloroindole-2-boronicacid ^*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=C2Cl)(O)O

Technology Process of (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid

There total 4 articles about (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)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: 99.0%

: 129822-46-4
tert-butyl 4-chloro-1H-indole-1-carboxylate

: 475102-11-5
[1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid

Guidance literature:: tert-butyl 4-chloro-1H-indole-1-carboxylate; With Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; at 0 - 5 ℃; for 0.5h;

With hydrogenchloride; In tetrahydrofuran; Further stages.;
DOI:10.1021/jo026087j

Reference yield:

: 5419-55-6
Triisopropyl borate

: 129822-46-4
tert-butyl 4-chloro-1H-indole-1-carboxylate

: 475102-11-5
[1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid

Guidance literature:: With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

Reference yield:

: 25235-85-2
4-chloro-1H-indole

: 475102-11-5
[1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: DMAP / CH₂Cl₂ / 0.75 h / 20 °C

2.1: (iPrO)3B; LDA / tetrahydrofuran / 0.5 h / 0 - 5 °C

2.2: 99 percent / 2N HCl / tetrahydrofuran

With dmap; Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo026087j