1-Benzothien-7-ylboronic acid

Base Information

• Chemical Name: 1-Benzothien-7-ylboronic acid
• CAS No.: 628692-17-1
• Molecular Formula: C8H7BO2S
• Molecular Weight: 178.019
• Hs Code.: 2934999090
• European Community (EC) Number: 802-000-3
• DSSTox Substance ID: DTXSID80586296
• Wikidata: Q82478402
• Mol file: 628692-17-1.mol

Synonyms:1-Benzothien-7-ylboronic acid;628692-17-1;Benzo[b]thiophen-7-ylboronic acid;1-benzothiophen-7-ylboronic acid;BORONIC ACID, BENZO[B]THIEN-7-YL-;7-Benzothiopheneboronic acid;7-benzothiophene boronic acid;SCHEMBL394147;Benzo[b]thiophen-7-ylboronicacid;Benzo[b]thiophene-7-boronic acid;DTXSID80586296;RVFILKCRCVFHPV-UHFFFAOYSA-N;(1-benzothiophen-7-yl)boronic acid;MFCD06740320;AKOS003237597;AB29070;FS-6341;MCULE-3908521602;CS-0175276;D82187;EN300-212681;Z1198170057

Chemical Property of 1-Benzothien-7-ylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 390.207°C at 760 mmHg
• Flash Point: 189.791°C
• PSA: 68.70000
• Density: 1.355g/cm³
• LogP: 0.58110
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.0259808
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Benzothien-7-ylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C2C(=CC=C1)C=CS2)(O)O

Technology Process of 1-Benzothien-7-ylboronic acid

There total 4 articles about 1-Benzothien-7-ylboronic 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: 78.0%

→ benzo[b]thiophen-7-ylboronic acid (628692-17-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

Reference yield: 75.0%

7-bromobenzo(b)thiophene (1423-61-6) → benzo[b]thiophen-7-ylboronic acid (628692-17-1)

Guidance literature:

7-bromobenzo(b)thiophene; With Triisopropyl borate; In tetrahydrofuran; hexane; at -70 - -67.5 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at -5 ℃; for 1h; pH=~ 2;

Reference yield: 60.0%

7-bromobenzo(b)thiophene (1423-61-6) + Trimethyl borate (121-43-7,63156-11-6) → benzo[b]thiophen-7-ylboronic acid (628692-17-1)

Guidance literature:

7-bromobenzo(b)thiophene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.166667h;

Trimethyl borate; In diethyl ether; hexane; at -78 - -10 ℃;

upstream raw materials:

7-bromobenzo(b)thiophene

Triisopropyl borate

Trimethyl borate

Downstream raw materials:

(3R)-3-(2-(benzo[b]thiophen-7-yl)-2-(phenylamino)-acetoxy)-1-(2-oxo-2-(thiophen-2-yl)ethyl)-1-azoniabicyclo[2.2.2]octane chloride

(R)-quinuclidin-3-yl 2-(benzo[b]thiophen-7-yl)-2-(phenylamino)acetate

(3R)-3-(2-(benzo[b]thiophen-7-yl)-2-(phenylamino)-acetoxy)-1-(2-oxo-2-phenylethyl)-1-azoniabicyclo[2.2.2]octane chloride

2-(benzo[b]thiophen-7-yl)-2-(phenylamino)acetic acid

Refernces

• 1、 -. "IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER". Page/Page column 7-8. . Retrieved 2008/12/06.
• 2、 -. "TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS". Page/Page column 9; 10. . Retrieved 2009/01/20.