Benzo[b]naphtho[1,2-d]thiophene

Base Information

• Chemical Name: Benzo[b]naphtho[1,2-d]thiophene
• CAS No.: 205-43-6
• Molecular Formula: C16H10 S
• Molecular Weight: 234.321
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID4075370
• Nikkaji Number: J104.296C
• Wikidata: Q81977042
• Mol file: 205-43-6.mol

Synonyms:1,2-BNT;benzo(b)naphtho(1,2-d)thiophene

Chemical Property of Benzo[b]naphtho[1,2-d]thiophene

Chemical Property:

• Vapor Pressure: 2.44E-07mmHg at 25°C
• Melting Point: 185℃ (acetic acid )
• Boiling Point: 434.3°Cat760mmHg
• Flash Point: 163°C
• PSA: 28.24000
• Density: 1.292g/cm³
• LogP: 5.20770
• Storage Temp.: 2-8°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 234.05032149
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Benzo[b]naphtho[1,2-d]thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3

Technology Process of Benzo[b]naphtho[1,2-d]thiophene

There total 50 articles about Benzo[b]naphtho[1,2-d]thiophene 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%

3-[1-(2-fluorophenyl)naphthalen-2-ylsulfanyl]propionic acid ethyl ester (1264712-19-7) → Benzo[b]naphtho[1,2-d]thiophene (205-43-6)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 50 ℃; for 8h; Inert atmosphere;

DOI:10.1002/ejoc.201001393

Reference yield: 94.0%

C23H16OS → Benzo[b]naphtho[1,2-d]thiophene (205-43-6)

Guidance literature:

With phosphomolybdic acid; In 1,2-dichloro-ethane; at 25 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.joc.1c02385

Reference yield: 88.0%

2-[2-(benzo[b]thiophen-3-yl)benzyl]-1,3-dioxolane → Benzo[b]naphtho[1,2-d]thiophene (205-43-6)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 20 ℃; for 0.666667h;

DOI:10.3762/BJOC.17.35

upstream raw materials:

benzothiophene-1,1-dioxide

tetrahydro(8,9,10,11)benzo(b)naphto<1,2-d>thiophene

Benzonaphthto<1,2-d>thiophene 7,7-dioxide

benzo[b]naphtho[1,2-d]thiophene-5-carboxylic acid

Downstream raw materials:

1-phenylnaphthalene

5-bromobenzo[b]naphtha[1,2-d]thiophene

1-phenyl-1,2,3,4-tetrahydronaphthalene

5-phenyl-1,2,3,4-tetrahydronaphthalene

Refernces

• 1、 Cho, Eun Kee,Lambert, Tristan H.,Quach, Phong K.,Sim, Jae Hun,Zhang, Yunfei. "Polycyclic heteroaromatics via hydrazine-catalyzed ring-closing carbonyl-olefin metathesis". . p. 2418 - 2422. Retrieved 2022/03/08.
• 2、 Zhou, Min-Jie,Zhang, Lei,Liu, Guixia,Xu, Chen,Huang, Zheng. "Site-Selective Acceptorless Dehydrogenation of Aliphatics Enabled by Organophotoredox/Cobalt Dual Catalysis". supporting information. p. 16470 - 16485. Retrieved 2021/10/20.