Benzo[B]thiophene-6-OL

Base Information

• Chemical Name: Benzo[B]thiophene-6-OL
• CAS No.: 19301-39-4
• Molecular Formula: C8H6OS
• Molecular Weight: 150.201
• Hs Code.: 2934999090
• European Community (EC) Number: 242-950-0
• DSSTox Substance ID: DTXSID30172906
• Nikkaji Number: J242.766D
• Wikidata: Q72440037
• ChEMBL ID: CHEMBL4576268
• Mol file: 19301-39-4.mol

Synonyms:benzo[b]thiophen-6-ol;19301-39-4;1-benzothiophen-6-ol;BENZO[B]THIOPHENE-6-OL;6-Hydroxybenzothiophene;Benzo(b)thiophene-6-ol;EINECS 242-950-0;MFCD01860290;SCHEMBL911044;CHEMBL4576268;DTXSID30172906;AKOS022634555;SB34739;AS-57569;SY222429;CS-0060429;FT-0729249;A22776;EN300-366808

Chemical Property of Benzo[B]thiophene-6-OL

Chemical Property:

• Vapor Pressure: 0.000585mmHg at 25°C
• Melting Point: 102-103℃
• Refractive Index: 1.727
• Boiling Point: 301.6 °C at 760 mmHg
• PKA: 9.39±0.40(Predicted)
• Flash Point: 136.2 °C
• PSA: 48.47000
• Density: 1.347g/cm³
• LogP: 2.60690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.01393598
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

Benzo[b]thiophen-6-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CS2)O
• Uses: Benzo[b]thiophen-6-ol is used as a building block in organic synthesis.

Technology Process of Benzo[B]thiophene-6-OL

There total 11 articles about Benzo[B]thiophene-6-OL 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: 100.0%

6-methoxy-benzo[b]thiophene (90560-10-4) → 1-benzothiophen-6-ol (19301-39-4)

Guidance literature:

With sodium thioacetate; In DMF (N,N-dimethyl-formamide); at 150 ℃;

Reference yield: 38.0%

6-acetoxybenzothiophen (82194-65-8) → 1-benzothiophen-6-ol (19301-39-4) + 6-acetoxy-3-acetylbenzothiophen (82194-68-1) + 6-acetoxy-2-acetylbenzothiophen (82194-69-2)

Guidance literature:

With aluminium trichloride; benzene; In dichloromethane; for 4h; Ambient temperature;

Reference yield:

6-methoxy-benzo[b]thiophene (90560-10-4) + boron tribromide-dimethyl sulfide complex (29957-59-3) → 1-benzothiophen-6-ol (19301-39-4)

Guidance literature:

6-methoxy-benzo[b]thiophene; boron tribromide-dimethyl sulfide complex; In chlorobenzene; at 130 ℃; for 7h;

With water; In chlorobenzene;

upstream raw materials:

6-methoxy-benzo[b]thiophene

6-aminobenzothiophene

6-acetoxybenzothiophen

Benzo[b]thiophene

Downstream raw materials:

benzoic acid benzo[b]thiophen-6-yl ester

6-hydroxy-2,3-dihydrobenzo[b]thiophene

2-p-Tolyl-2,3-dihydro-benzo[b]thiophen-6-ol

3-p-Tolyl-2,3-dihydro-benzo[b]thiophen-6-ol