3-Thien-3-ylaniline

Base Information

• Chemical Name: 3-Thien-3-ylaniline
• CAS No.: 161886-96-0
• Molecular Formula: C10H9NS
• Molecular Weight: 175.254
• Hs Code.: 2934999090
• European Community (EC) Number: 886-703-0
• DSSTox Substance ID: DTXSID50399658
• Wikidata: Q82202330
• Mol file: 161886-96-0.mol

Synonyms:3-thien-3-ylaniline;161886-96-0;3-(thiophen-3-yl)aniline;3-thiophen-3-ylaniline;3-Thiophen-3-yl-phenylamine;3-(3-Aminophenyl)thiophene;Benzenamine, 3-(3-thienyl)-;3-(Thien-3-yl)aniline;3-thiophen-3-ylphenylamine;Benzenamine,3-(3-thienyl)-;3-(thiophen-3-yl)benzenamine;SCHEMBL2481528;DTXSID50399658;3-thien-3-ylaniline, AldrichCPR;MFCD06740169;AKOS004114114;AT26618;MS-22618;A3593;BB 0222696;CS-0234675;FT-0643565;EN300-145433

Chemical Property of 3-Thien-3-ylaniline

Chemical Property:

• Vapor Pressure: 0.000525mmHg at 25°C
• Melting Point: 89 °C
• Refractive Index: 1.65
• Boiling Point: 312.5 °C at 760 mmHg
• PKA: 4.30±0.10(Predicted)
• Flash Point: 142.8 °C
• PSA: 54.26000
• Density: 1.196 g/cm³
• LogP: 3.57850
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

3-Thien-3-ylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=CSC=C2

Technology Process of 3-Thien-3-ylaniline

There total 3 articles about 3-Thien-3-ylaniline 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: 10.0%

Thien-3-ylboronic acid (6165-69-1) + m-Bromoaniline (591-19-5) → 3‐(thiophen‐3‐yl)aniline (161886-96-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; for 16h; Inert atmosphere; Reflux;

DOI:10.1021/acschemneuro.8b00396

Reference yield: 10.0%

→ 3‐(thiophen‐3‐yl)aniline (161886-96-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; for 16h; Reflux; Inert atmosphere;

Reference yield:

3-Bromothiophene (872-31-1) + 3-Aminophenylboronic acid (30418-59-8,280563-63-5) → 3‐(thiophen‐3‐yl)aniline (161886-96-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; at 90 ℃;

DOI:10.1002/ardp.200700261

upstream raw materials:

3-Bromothiophene

3-Aminophenylboronic acid

Thien-3-ylboronic acid

m-Bromoaniline

Downstream raw materials:

N-(3-(thiophen-3-yl)phenyl)-4-(pyridin-3-yl)benzamide

C₁₂H₉Cl₂NOS

Refernces

• 1、 -. "DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS". Paragraph 69; 72; 110. . Retrieved 2018/12/02.
• 2、 Holzer, Marcel,Ziegler, Sigrid,Neugebauer, Alexander,Kronenberger, Bernd,Klein, Christian D.,Hartmann, Rolf W.. "Structural modifications of salicylates: Inhibitors of human CD81-receptor HCV-E2 interaction". experimental part. p. 478 - 484. Retrieved 2009/04/04.