1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester

Base Information

Chemical Name:1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester
CAS No.:945493-45-8
Molecular Formula:C₁₄H₁₈BNO₄S
Molecular Weight:307.178
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90587739
Wikidata:Q82480249
Mol file:945493-45-8.mol

Synonyms:945493-45-8;1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester;1H-Indole-1-carboxylic acid,2-borono-5-(methylthio)-,1-(1,1-dimethylethyl)ester;DTXSID90587739;[1-(tert-Butoxycarbonyl)-5-(methylsulfanyl)-1H-indol-2-yl]boronic acid

Suppliers and Price of 1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester

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
1-(1,1-DIMETHYLETHYL)-2-BORONO-5-(METHYLTHIO)-1H-INDOLE-1-CARBOXYLIC ACID ESTER 95.00%
5MG
$ 502.50

Total 2 raw suppliers

Chemical Property of 1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester

Chemical Property:

Vapor Pressure:6.32E-11mmHg at 25°C
Boiling Point:502.7°C at 760 mmHg
Flash Point:257.8°C
PSA：96.99000
Density:1.22g/cm³
LogP:1.82620
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:307.1049594
Heavy Atom Count:21
Complexity:388

Purity/Quality:

95%-98% ^*data from raw suppliers

1-(1,1-DIMETHYLETHYL)-2-BORONO-5-(METHYLTHIO)-1H-INDOLE-1-CARBOXYLIC ACID ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester

There total 3 articles about 1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester 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: 97.0%

: 945493-66-3
N-Boc-5-(methylthio)indole

: 945493-45-8
N-Boc-5-(methylthio)indol-2-ylboronic acid

Guidance literature:: N-Boc-5-(methylthio)indole; With Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; at 0 - 5 ℃;

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

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 945493-45-8
N-Boc-5-(methylthio)indol-2-ylboronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 99 percent / 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 1 h / 20 °C

2.1: triisopropyl borate; LDA / tetrahydrofuran / 0 - 5 °C

2.2: 97 percent / aq. phosphate buffer / tetrahydrofuran / pH 6.0

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

Reference yield:

: 77248-65-8
5-methylthio-1H-indole

: 945493-45-8
N-Boc-5-(methylthio)indol-2-ylboronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 99 percent / 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 1 h / 20 °C

2.1: triisopropyl borate; LDA / tetrahydrofuran / 0 - 5 °C

2.2: 97 percent / aq. phosphate buffer / tetrahydrofuran / pH 6.0

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