tert-Butyl benzo[b]thiophen-2-ylcarbamate

Base Information

• Chemical Name: tert-Butyl benzo[b]thiophen-2-ylcarbamate
• CAS No.: 89673-36-9
• Molecular Formula: C13H15NO2S
• Molecular Weight: 249.32900
• Hs Code.: 2934999090
• European Community (EC) Number: 968-917-7
• DSSTox Substance ID: DTXSID90525398
• Nikkaji Number: J481.979I
• Wikidata: Q72440015
• Mol file: 89673-36-9.mol

Synonyms:tert-Butyl benzo[b]thiophen-2-ylcarbamate;89673-36-9;tert-butyl N-(1-benzothiophen-2-yl)carbamate;tert-butylbenzo[b]thiophen-2-ylcarbamate;SCHEMBL1099128;DTXSID90525398;CNFLHJOYSZBEEL-UHFFFAOYSA-N;MFCD22056377;AKOS016011359;t-butyl 1-benzothiophen-2-ylcarbamate;DS-2847;tert-Butyl 1-benzothiophen-2-ylcarbamate;1,1-Dimethylethyl 1-benzothien-2-ylcarbamate;EN300-100809;A861098;benzo[b]thiophen-2-yl-carbamic acid tert-butyl ester

Chemical Property of tert-Butyl benzo[b]thiophen-2-ylcarbamate

Chemical Property:

• PSA: 70.06000
• Density: 1.234
• LogP: 4.26190
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

99%, ^*data from raw suppliers

tert-ButylBenzo[b]thiophen-2-ylcarbamate ^*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=CC2=CC=CC=C2S1

Technology Process of tert-Butyl benzo[b]thiophen-2-ylcarbamate

There total 3 articles about tert-Butyl benzo[b]thiophen-2-ylcarbamate 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: 58.0%

2-(tert-butoxycarbonylamino)-3-iodobenzothiophene (143944-01-8) + acetophenone (98-86-2) → 2-(tert-butoxycarbonylamino)benzothiophene (89673-36-9) + 2-<2-(tert-butoxycarbonylamino)-3-benzothienyl>-1-phenylethanone (143944-02-9)

Guidance literature:

With potassium tert-butylate; In ammonia; at -78 ℃; for 5h; Irradiation;

Reference yield: 38.0%

2-(tert-butoxycarbonylamino)-3-chlorothiophene (90490-31-6) + acetophenone (98-86-2) → 2-(tert-butoxycarbonylamino)benzothiophene (89673-36-9) + 2-<2-(tert-butoxycarbonylamino)-3-benzothienyl>-1-phenylethanone (143944-02-9)

Guidance literature:

for 5h; Mechanism; Irradiation; other 3-halo-2-amino derivatives, other ketones, var. solvents, var. temp., var. time;

Reference yield: 8.0%

2-(tert-butoxycarbonylamino)-3-chlorothiophene (90490-31-6) → 2-(tert-butoxycarbonylamino)benzothiophene (89673-36-9) + 2-<2-(tert-butoxycarbonylamino)-3-benzothienyl>-1-phenylethanone (143944-02-9)

Guidance literature:

With potassium tert-butylate; acetophenone; In ammonia; at -78 ℃; for 5h; Irradiation;

upstream raw materials:

2-(tert-butoxycarbonylamino)-3-chlorothiophene

acetophenone

2-(tert-butoxycarbonylamino)-3-iodobenzothiophene

Downstream raw materials:

benzo[b]thiophen-2-ylamine; hydrochloride

N-(3-Bromo-benzo[b]thiophen-2-yl)-N-(3,4-difluoro-benzyl)-benzenesulfonamide

N-(3,4-difluoro-benzyl)-N-[3-(1-hydroxy-ethyl)-benzo[b]thiophen-2-yl]-benzenesulfonamide

N-(3,4-difluoro-benzyl)-N-(3-hydroxymethyl-benzo[b]thiophen-2-yl)-benzenesulfonamide

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